A unified machine-learning protocol for asymmetric catalysis as a proof of concept demonstration using asymmetric hydrogenation
Singh, Sukriti; Pareek, Monika; Changotra, Avtar; Banerjee, Sayan; Bhaskararao, Bangaru; Balamurugan, P; Sunoj, Raghavan B.
Proc. Natl. Acad. Sci. (USA), 2020, 117, 1339-1345.
Insights on Absolute and Relative Stereocontrol in Stereodivergent Cooperative Catalysis
Changotra, A.; Bhaskararao, B.; Hadad, C. M.; Sunoj, R. B.
J. Am. Chem. Soc. 2020, 142, 9612.
Molecular Insights into Dynamic Kinetic Asymmetric Transformation in a Rh-catalyzed Allylic Arylation of Racemic Halides by Arylboronic Acids
Pareek, M.; Sunoj, R. B.
ACS Catal. 2020, 10, 4349.
Palladium-Silver Heterobimetallic Interation in Catalytic C-H Activation Reactions
Bhaskararao, B.; Singh, S.; Anand, M.; Verma, P.; Prakash, P.; Cheruvelil, A.; Malakar, S.; Schaefer, H. F.; Sunoj, R. B.
Chem. Sci. 2020, 11, 208.
Pd-Catalyzed γ-C(sp3)–H Fluorination of Free Amines
Chen, Y, –Q.; Singh, S.; Wu, Y.; Wang, Z.; Verma, P.; Qiao, J. X.; Sunoj, R. B. Yu, J. –Q.
J. Am. Chem. Soc. 2020, 142, 9966.
Tsuji-Trost-type Allylation at the Meta Position of Arenes: A Unique Combination of Pyrimidine-based Template and Hexafluoroisopropanol
Bag, S.; Mondal, A.; Surya, K.; Jayaraman, R.; Sunoj, R. B.; Maiti, D.
J. Am. Chem. Soc. 2020, 142, 12453.
Unraveling the Importance of Noncovalent Interactions in Asymmetric Hydroformylation Reactions
Dangat, Y.; Popli, S.; Sunoj, R. B.
J. Am. Chem. Soc. 2020, 142, 17079–17092.
Cooperativity and Serial Ligand Catalysis in an Allylic Amination Reaction by Pd(II)-bis-sulfoxide and Bronsted Acid
Sreedhar, D.; Sunoj, R. B.
Org. Biomol. Chem. 2019, 17, 7723.
Harnessing Noncovalent Interactions in Dual Catalytic Enantioselective Heck-Matsuda Arylation
Reddi, Y.; Tsai, C.; Avila, C. M.; Toste, F. D.; Sunoj, R. B.
J. Am. Chem. Soc. 2019, 141, 988.
Hypercoordinate Iodine for Catalytic Asymmetric Dimaination of Styrene: Insights into Mechanism, Role of Solvent, and Stereoinduction
Sreenithya, A.; Hadad, C. M.; Sunoj, R. B.
Chem. Sci. 2019, 10, 7082.
Insights into the Role of Noncovalent Interactions in Distal Functionalization of Aryl C(sp2)-H Bond
Unnikrishnan, A.; Sunoj, R. B.
Chem. Sci. 2019, 10, 3826.
Mechanism and Origin of Enantioselectivity in Nickel Catalyzed Alkyl-Alkyl Suzuki Coupling Reaction
Singh, S.; Sunoj, R. B.
J. Phys. Chem. A 2019, 123, 6701. (Invited contribution to Leo Radom festschrift)
On the Activation of Hpercoordinate Iodine(III) Compounds for Reactions of Current Interest
Sreenithya, A.; Sunoj, R. B.
Dalton Trans. 2019, 48, 4086. (Invited contribution to the themed issue on the occasion of 150th year of periodic table).`
Insights on the Origin of Regiodivergence in the Parallel Kinetic Resolution of rac-Aziridines using a Chiral Lanthanum-Yttrium Bimetallic Catalyst
Kisan, H. K.; Sunoj. Raghavan B.
ACS Catal. 2018, 8, 7633.
Machine Learning for Predicting Product Distributions in Catalytic Reactions
Banerjee, S.; Sreenithya, A.; Sunoj, Raghavan B.
Phys. Chem. Chem. Phys.2018, 20, 18311.
Mechanistic Insights on Orthogonal Selectivity in Benzofuran Synthesis
Maji, A.; Reddi, Y.; Sunoj, Raghavan. B.; Maiti, D.
ACS Catal. 2018, 11, 10111.
Origin of Stereoselectivity in the Amination of Alcohols using Cooperative Asymmetric Dual Catalysis Involving Chiral Counterion
Tribedi, S.; Sunoj, Raghavan B.
Chem. Sci. 2018, 9, 6126.
Rhodium Catalyzed Asymmetric Hydroamination of Internal Alkynes with Indoline: Mechanism, Origin of Enantioselectivity, and Role of Additives.
Athira, C.; Changotra, Avtar; Sunoj, Raghavan B.
J. Org. Chem., 2018, 83, 2627-2639
Toward the Quantification of Non-covalent Interactions in the Enantio-controlling Transition States in Asymmetric Catalysis
Malakar, S.; Sowndarya, S. V.; Sunoj, Raghavan B.
Org. Biomol. Chem. 2018, 16, 5643.
Two Chiral Catalysts in Action: Insights into Cooperativity and Stereoselectivity in Proline and Cinchona-thiourea Dual Organocatalysis
Bhaskararao, B.; Sunoj, Raghavan B.
Chem. Sci. 2018, 9, 8738.
Aliphatic C(sp3)-H Bond Activation Using Nickel Catalysis: Mechanistic Insights on Regioselective Arylation.
Singh, Sukriti; K, Surya; Sunoj, Raghavan B.
J. Org. Chem., 2017, 82, 9619-9626
Asymmetric Dual Chiral Catalysis using Iridium Phosphoramidites and Diarylprolinol Silyl Ethers: Insights into Stereodivergence.
Bhaskararao, Bangaru; Sunoj, Raghavan B.
ACS Catal., 2017, 7, 6675-6685
Catalytic Arene meta-C-H Functionalization Exploiting a Quinoline-Based Template.
Dutta, Uttam; Modak, Atanu; Bhaskararao, Bangaru; Bera, Milan; Bag, Sukdev; Mondal, Anirban; Lupton, David W.; Sunoj, Raghavan B.; Maiti, Debabrata.
ACS Catal., 2017, 7, 3162-3168
Enantioselective Heck-Matsuda Arylations through Chiral Anion Phase-Transfer of Aryl Diazonium Salts.
Avila, Carolina M.; Patel, Jigar S.; Reddi, Yernaidu; Saito, Masato; Nelson, Hosea M.; Shunatona, Hunter P.; Sigman, Matthew S.; Sunoj, Raghavan B.; Toste, F. Dean.
Angew. Chem., Int. Ed., 2017, 56, 5806-5811
Experimental and Computational Studies on Remote γ-C(sp3)-H Silylation and Germanylation of Aliphatic Carboxamides.
Deb, Arghya; Singh, Sukriti; Seth, Kapileswar; Pimparkar, Sandeep; Bhaskararao, Bangaru; Guin, Srimanta; Sunoj, Raghavan B.; Maiti, Debabrata.
ACS Catal., 2017, 7, 8171-8175
Exploring the Mechanism and Stereoselectivity in Chiral Cinchona-Catalyzed Heterodimerization of Ketenes.
Bhaskararao, Bangaru; Jindal, Garima; Sunoj, Raghavan B.
J. Org. Chem., 2017, 82, 13449-13458
Hypercoordinate Iodine Catalysts in Enantioselective Transformation: The Role of Catalyst Folding in Stereoselectivity.
Sreenithya, A.; Patel, Chandan; Hadad, Christopher M.; Sunoj, Raghavan B.
ACS Catal., 2017, 7, 4189-4196
Hypercoordinate iodine(III) promoted reactions and catalysis: an update on current mechanistic understanding.
Sreenithya, A.; Surya, K.; Sunoj, Raghavan B.
Wiley Interdiscip. Rev.: Comput. Mol. Sci., 2017, 7, n/a
Mechanism and reactivity in the Morita-Baylis-Hillman reaction: the challenge of accurate computations.
Liu, Zhen; Patel, Chandan; Harvey, Jeremy N.; Sunoj, Raghavan B.
Phys. Chem. Chem. Phys., 2017, 19, 30647-30657
Mechanistic insights and the origin of regioselective borylation in an iridium-catalyzed alkyl C(sp3)-H bond functionalization.
Patel, Chandan; Abraham, Vibin; Sunoj, Raghavan B.
Organometallics, 2017, 36, 151-158
Origin of Stereoselectivity in Cooperative Asymmetric Catalysis Involving N-Heterocyclic Carbenes and Lewis Acids toward the Synthesis of Spirooxindole Lactone.
Reddi, Yernaidu; Sunoj, Raghavan B.
ACS Catal., 2017, 7, 530-537
Reversing Enantioselectivity Using Noncovalent Interactions in Asymmetric Dearomatization of β-Naphthols: The Power of 3,3' Substituents in Chiral Phosphoric Acid Catalysts.
Changotra, Avtar; Das, Sandip; Sunoj, Raghavan B.
Org. Lett., 2017, 19, 2354-2357
Role of Lewis acid additives in a palladium catalyzed directed C-H functionalization reaction of benzohydroxamic acid to isoxazolone.
Athira, C.; Sunoj, Raghavan B.
Org. Biomol. Chem., 2017, 15, 246-255
Transposed Paterno-Buchi Reaction.
Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.
J. Am. Chem. Soc., 2017, 139, 655-662
Asymmetric Cooperative Catalysis in a Three-Component Reaction: Mechanism and Origin of Enantio- and Diastereoselectivities.
Kisan, Hemanta K.; Sunoj, Raghavan B.
Org. Lett., 2016, 18, 3746-3749
Cooperative Asymmetric Catalysis by N-Heterocyclic Carbenes and Bronsted Acid in γ-Lactam Formation: Insights into Mechanism and Stereoselectivity.
Pareek, Monika; Sunoj, Raghavan B.
ACS Catal., 2016, 6, 3118-3126
Directing group assisted meta-hydroxylation by C-H activation.
Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata.
Chem. Sci., 2016, 7, 3147-3153
Keto-Enol Thermodynamics of Breslow Intermediates.
Paul, Mathias; Breugst, Martin; Neudoerfl, Joerg-Martin; Sunoj, Raghavan B.; Berkessel, Albrecht.
J. Am. Chem. Soc., 2016, 138, 5044-5051
Mechanism and Stereoselectivity in an Asymmetric N-Heterocyclic Carbene-Catalyzed Carbon-Carbon Bond Activation Reaction.
Pareek, Monika; Sunoj, Raghavan B.
Org. Lett., 2016, 18, 5932-5935
Origin of Kinetic Resolution of Hydroxy Esters through Catalytic Enantioselective Lactonization by Chiral Phosphoric Acids.
Changotra, Avtar; Sunoj, Raghavan B.
Org. Lett., 2016, 18, 3730-3733
Palladium-Silver Cooperativity in an Aryl Amination Reaction through C-H Functionalization.
Anand, Megha; Sunoj, Raghavan B.; Schaefer, Henry F.
ACS Catal., 2016, 6, 696-708
Photoreactions with a Twist: Atropisomerism-Driven Divergent Reactivity of Enones with UV and Visible Light.
Vallavoju, Nandini; Sreenithya, Avadakkam; Ayitou, Anoklase J.-L.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, Jayaraman.
Chem. - Eur. J., 2016, 22, 11339-11348
Transition State Models for Understanding the Origin of Chiral Induction in Asymmetric Catalysis.
Sunoj, Raghavan B.
Acc. Chem. Res., 2016, 49, 1019-1028
A phosphomide based PNP ligand, 2,6-{Ph2PC(O)}2(C5H3N), showing PP, PNP and PNO coordination modes.
Kumar, Pawan; Kashid, Vitthalrao S.; Reddi, Yernaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.
Dalton Trans., 2015, 44, 4167-4179
Asymmetric Dual-Catalytic Cascade by Chiral N-Heterocyclic Carbene and Quinuclidine: Mechanism and Origin of Enantioselectivity in Benzofuranone Formation.
Reddi, Yernaidu; Sunoj, Raghavan B.
ACS Catal., 2015, 5, 1596-1603
Axial Coordination Dichotomy in Dirhodium Carbenoid Catalysis: A Curious Case of Cooperative Asymmetric Dual-Catalytic Approach toward Amino Esters.
Kisan, Hemanta K.; Sunoj, Raghavan B.
J. Org. Chem., 2015, 80, 2192-2197
Deciphering the Origin of Stereoinduction in Cooperative Asymmetric Catalysis Involving Pd(II) and a Chiral Bronsted Acid.
Jindal, Garima; Sunoj, Raghavan B.
Org. Lett., 2015, 17, 2874-2877
Mechanistic Insights on Cooperative Catalysis through Computational Quantum Chemical Methods.
Jindal, Garima; Kisan, Hemanta K.; Sunoj, Raghavan B.
ACS Catal., 2015, 5, 480-503
Mechanistic Studies on Stereoselective Organocatalytic Direct β-C-H Activation in an Aliphatic Chain by Chiral N-Heterocyclic Carbenes.
Reddi, Yernaidu; Sunoj, Raghavan B.
ACS Catal., 2015, 5, 5794-5802
Origin of Stereodivergence in Cooperative Asymmetric Catalysis with Simultaneous Involvement of Two Chiral Catalysts.
Bhaskararao, Bangaru; Sunoj, Raghavan B.
J. Am. Chem. Soc., 2015, 137, 15712-15722
Synthesis, characterization and DFT studies of 1,1'-Bis(diphenylphosphino)ferrocene substituted diiron complexes: Bioinspired [FeFe] hydrogenase model complexes.
Kaur-Ghumaan, Sandeep; Sreenithya, A.; Sunoj, Raghavan B.
J. Chem. Sci. (Bangalore, India), 2015, 127, 557-563
Axially Chiral Imidodiphosphoric Acid Catalyst for Asymmetric Sulfoxidation Reaction: Insights on Asymmetric Induction.
Jindal, Garima; Sunoj, Raghavan B.
Angew. Chem., Int. Ed., 2014, 53, 4432-4436
Deciphering the origin of cooperative catalysis by dirhodium acetate and chiral spiro phosphoric acid in an asymmetric amination reaction.
Kisan, Hemanta K.; Sunoj, Raghavan B.
Chem. Commun. (Cambridge, U. K.), 2014, 50, 14639-14642
Importance of Ligand Exchanges in Pd(II)-Bronsted Acid Cooperative Catalytic Approach to Spirocyclic Rings.
Jindal, Garima; Sunoj, Raghavan B.
J. Am. Chem. Soc., 2014, 136, 15998-16008
Mechanistic Insights on Cooperative Asymmetric Multicatalysis Using Chiral Counterions.
Jindal, Garima; Sunoj, Raghavan B.
J. Org. Chem., 2014, 79, 7600-7606
Mechanistic Insights on Iodine(III) Promoted Metal-Free Dual C-H Activation Involved in the Formation of a Spirocyclic Bis-oxindole.
Sreenithya, A.; Sunoj, Raghavan B.
Org. Lett., 2014, 16, 6224-6227
Non-innocent Additives in a Palladium(II)-Catalyzed C-H Bond Activation Reaction: Insights into Multimetallic Active Catalysts.
Anand, Megha; Sunoj, Raghavan B.; Schaefer, Henry F.
J. Am. Chem. Soc., 2014, 136, 5535-5538
Rational design of catalysts for asymmetric diamination reaction using transition state modeling.
Jindal, Garima; Sunoj, Raghavan B.
Org. Biomol. Chem., 2014, 12, 2745-2753
The mechanism of catalytic methylation of 2-phenylpyridine using di-tert-butyl peroxide.
Sharma, Akhilesh K.; Roy, Dipankar; Sunoj, Raghavan B.
Dalton Trans., 2014, 43, 10183-10201
The mechanism of the NHC catalyzed aza-Morita-Baylis-Hillman reaction: insights into a new substrate-catalyzed bimolecular pathway.
Verma, Pritha; Verma, Pragya; Sunoj, Raghavan B.
Org. Biomol. Chem., 2014, 12, 2176-2179
Cyclopalladation of dimesityl selenide: synthesis, reactivity, structural characterization, isolation of an intermediate complex with C-H···Pd intra-molecular interaction and computational studies.
Kolay, Siddhartha; Wadawale, Amey; Das, Dasarathi; Kisan, Hemanta K.; Sunoj, Raghavan B.; Jain, Vimal K.
Dalton Trans., 2013, 42, 10828-10837
Mechanism and Stereoselectivity of Biologically Important Oxygenation Reactions of the 7-Dehydrocholesterol Radical.
Rajeev, Ramanan; Sunoj, Raghavan B.
J. Org. Chem., 2013, 78, 7023-7029
Mechanism of Catalytic Functionalization of Primary C-H Bonds Using a Silylation Strategy.
Parija, Abhishek; Sunoj, Raghavan B.
Org. Lett., 2013, 15, 4066-4069
N-Heterocyclic Carbene Catalyzed Asymmetric Intermolecular Stetter Reaction: Origin of Enantioselectivity and Role of Counterions.
Kuniyil, Rositha; Sunoj, Raghavan B.
Org. Lett., 2013, 15, 5040-5043
New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies.
Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.
Dalton Trans., 2013, 42, 11385-11399
On the Mechanism of the Dehydroaromatization of Hexane to Benzene by an Iridium Pincer Catalyst.
Thawani, Akanksha; Rajeev, Ramanan; Sunoj, Raghavan B.
Chem. - Eur. J., 2013, 19, 4069-4077
Synthesis of 3,3-disubstituted oxindoles by palladium-catalyzed asymmetric intramolecular α-arylation of amides: reaction development and mechanistic studies.
Katayev, Dmitry; Jia, Yi-Xia; Sharma, Akhilesh K.; Banerjee, Dipshikha; Besnard, Celine; Sunoj, Raghavan B.; Kuendig, E. Peter.
Chem. - Eur. J., 2013, 19, 11916-11927
Conformational mapping and energetics of saccharide-aromatic residue interactions: implications for the discrimination of anomers and epimers and in protein engineering.
Kumari, Manju; Sunoj, Raghavan B.; Balaji, Petety V.
Org. Biomol. Chem., 2012, 10, 4186-4200
Exploration of CH···π mediated stacking interactions in saccharide: aromatic residue complexes through conformational sampling.
Kumari, Manju; Sunoj, Raghavan B.; Balaji, Petety V.
Carbohydr. Res., 2012, 361, 133-140
Mechanism of Cooperative Catalysis in a Lewis Acid Promoted Nickel-Catalyzed Dual C-H Activation Reaction.
Anand, Megha; Sunoj, Raghavan B.
Org. Lett., 2012, 14, 4584-4587
Mechanistic Insights into the Role of Chiral Ligands in Asymmetric Diamination Reactions.
Jindal, Garima; Sunoj, Raghavan B.
Chem. - Eur. J., 2012, 18, 7045-7049, S7045/1-S7045/207
Mechanistic Insights on Organocatalytic Enantioselective Decarboxylative Protonation by Epicinchona-Thiourea Hybrid Derivatives.
Sengupta, Arkajyoti; Sunoj, Raghavan B.
J. Org. Chem., 2012, 77, 10525-10536
Mechanistic insights on platinum- and palladium-pincer catalyzed coupling and cyclopropanation reactions between olefins.
Rajeev, Ramanan; Sunoj, Raghavan B.
Dalton Trans., 2012, 41, 8430-8440
Microsolvated transition state models for improved insight into chemical properties and reaction mechanisms.
Sunoj, Raghavan B.; Anand, Megha.
Phys. Chem. Chem. Phys., 2012, 14, 12715-12736
Noninnocent Role of N-Methyl Pyrrolidinone in Thiazolidinethione-Promoted Asymmetric Aldol Reactions.
Sreenithya, A.; Sunoj, Raghavan B.
Org. Lett., 2012, 14, 5752-5755
On the Origin of Regio- and Stereoselectivity in Singlet Oxygen Addition to Enecarbamates.
Rajeev, Ramanan; Sunoj, Raghavan B.
J. Org. Chem., 2012, 77, 2474-2485
Origin of Stereoselectivity in a Chiral N-Heterocyclic Carbene-Catalyzed Desymmetrization of Substituted Cyclohexyl 1,3-Diketones.
Reddi, Yernaidu; Sunoj, Raghavan B.
Org. Lett., 2012, 14, 2810-2813
Refined Transition-State Models for Proline-Catalyzed Asymmetric Michael Reactions under Basic and Base-Free Conditions.
Sharma, Akhilesh K.; Sunoj, Raghavan B.
J. Org. Chem., 2012, 77, 10516-10524
Revisiting sesquiterpene biosynthetic pathways leading to santalene and its analogues: a comprehensive mechanistic study.
Jindal, Garima; Sunoj, Raghavan B.
Org. Biomol. Chem., 2012, 10, 7996-8006
Role of Explicit Solvents in Palladium(II)-Catalyzed Alkoxylation of Arenes: An Interesting Paradigm for Preferred Outer-Sphere Reductive Elimination over Inner-Sphere Pathway.
Anand, Megha; Sunoj, Raghavan B.
Organometallics, 2012, 31, 6466-6481
A computational insight into a metal mediated pathway for the ring-opening polymerization (ROP) of lactides by an ionic {(NHC)2Ag}+X- (X = halide) type N-heterocyclic carbene (NHC) complex.
Stephen, Raji; Sunoj, Raghavan B.; Ghosh, Prasenjit.
Dalton Trans., 2011, 40, 10156-10161
Chemo-, regio-, and diastereoselectivity preferences in the reaction of a sulfur ylide with a dienal and an enone.
Janardanan, Deepa; Sunoj, Raghavan B.
Org. Biomol. Chem., 2011, 9, 1642-1652
Mechanism and electronic effects in nitrogen ylide-promoted asymmetric aziridination reaction.
Rajeev, Ramanan; Sunoj, Raghavan B.
Org. Biomol. Chem., 2011, 9, 2123-2132
Mechanistic Insights on N-Heterocyclic Carbene-Catalyzed Annulations: The Role of Base-Assisted Proton Transfers.
Verma, Pragya; Patni, Priya A.; Sunoj, Raghavan B.
J. Org. Chem., 2011, 76, 5606-5613
Palladium(II)-Catalyzed Direct Alkoxylation of Arenes: Evidence for Solvent-Assisted Concerted Metalation Deprotonation.
Anand, Megha; Sunoj, Raghavan B.
Org. Lett., 2011, 13, 4802-4805
Proline-derived organocatalysis and synergism between theory and experiments.
Sunoj, Raghavan B.
Wiley Interdiscip. Rev.: Comput. Mol. Sci., 2011, 1, 920-931
Quantification of binding affinities of essential sugars with a tryptophan analogue and the ubiquitous role of C-H···π interactions.
Kumari, Manju; Balaji, Petety V.; Sunoj, Raghavan B.
Phys. Chem. Chem. Phys., 2011, 13, 6517-6530
Stereocontrol in proline-catalyzed asymmetric amination: a comparative assessment of the role of enamine carboxylic acid and enamine carboxylate.
Sharma, Akhilesh K.; Sunoj, Raghavan B.
Chem. Commun. (Cambridge, U. K.), 2011, 47, 5759-5761
Enamine versus Oxazolidinone: What Controls Stereoselectivity in Proline-Catalyzed Asymmetric Aldol Reactions?.
Sharma, Akhilesh K.; Sunoj, Raghavan B.
Angew. Chem., Int. Ed., 2010, 49, 6373-6377, S6373/1-S6373/101
Importance of the Nature of α-Substituents in Pyrrolidine Organocatalysts in Asymmetric Michael Additions.
Patil, Mahendra P.; Sharma, Akhilesh K.; Sunoj, Raghavan B.
J. Org. Chem., 2010, 75, 7310-7321
Ni-, Pd-, or Pt-catalyzed ethylene dimerization: a mechanistic description of the catalytic cycle and the active species.
Roy, Dipankar; Sunoj, Raghavan B.
Org. Biomol. Chem., 2010, 8, 1040-1051
The Pivotal Role of Chelation as a Stereochemical Control Element in Non-Evans Anti Aldol Product Formation.
Shinisha, C. B.; Sunoj, Raghavan B.
Org. Lett., 2010, 12, 2868-2871
TiCl4-Promoted Baylis-Hillman Reaction: Mechanistic Rationale toward Product Distribution and Stereoselectivity.
Patel, Chandan; Sunoj, Raghavan B.
J. Org. Chem., 2010, 75, 359-367
Transition State Models for Probing Stereoinduction in Evans Chiral Auxiliary-Based Asymmetric Aldol Reactions.
Shinisha, C. B.; Sunoj, Raghavan B.
J. Am. Chem. Soc., 2010, 132, 12319-12330
[5+3] cycloaddition of 3-oxidopyrylium: a novel route to functionalized cyclooctanoids from furans.
Krishna, Urlam Murali; Patil, Mahendra P.; Sunoj, Raghavan B.; Trivedi, Girish K.
Synthesis, 2010, , 320-328
Conformational and Isomeric Preferences of Six-Membered Inorganic Heterocycles [EtNP(E)(OR)]3 (E = Lone Pair, O, S, or Se): A Synthetic, Spectroscopic, Structural, and Computational Study.
Murugavel, Ramaswamy; Prabusankar, Ganesan; Sharma, Ashish; Sunoj, Raghavan B.; Butcher, Ray J.
Inorg. Chem., 2009, 48, 2048-2059
Mechanistic Insights and the Role of Cocatalysts in Aza-Morita-Baylis-Hillman and Morita-Baylis-Hillman Reactions.
Roy, Dipankar; Patel, Chandan; Sunoj, Raghavan B.
J. Org. Chem., 2009, 74, 6936-6943
NaI/CuI-II heterometallic cages interconnected by unusual linear 2-coordinate OCN-Cu(I)-NCO links: synthesis, structural, magnetostructural correlation and computational studies.
Ray, Aurkie; Rosair, Georgina M.; Rajeev, Ramanan; Sunoj, Raghavan B.; Rentschler, Eva; Mitra, Samiran.
Dalton Trans., 2009, , 9510-9519
On the Origin of Reversible Hydrogen Activation by Phosphine-Boranes.
Rajeev, Ramanan; Sunoj, Raghavan B.
Chem. - Eur. J., 2009, 15, 12846-12855, S12846/1-S12846/25
On the Origins of Kinetic Resolution of Cyclohexane-1,2-diols Through Stereoselective Acylation by Chiral Tetrapeptides.
Shinisha, C. B.; Sunoj, Raghavan B.
Org. Lett., 2009, 11, 3242-3245
On the relative preference of enamine/iminium pathways in an organocatalytic Michael addition reaction.
Patil, Mahendra P.; Sunoj, Raghavan B.
Chem. - Asian J., 2009, 4, 714-724
Quantification of intramolecular hydrogen bond in neurotransmitter Dopamine.
Garipelli, Nagaraju; Sunoj, R. B.; Madhava, Reddy B.; Jithan, A. V.; Runja, Chinnalaliah.
Int. J. Pharm. Sci. Nanotechnol., 2009, 2, 671-674
Synthesis of azoaromatic dyes via redox driven C-N bond fusion.
Sinan, Mominul; Panda, Manashi; Banerjee, Priyabrata; Shinisha, C. B.; Sunoj, Raghavan B.; Goswami, Sreebrata.
Org. Lett., 2009, 11, 3218-3221
Ab initio and density functional theory evidence on the rate-limiting step in the Morita-Baylis-Hillman reaction. [Erratum to document cited in CA147:541355].
Roy, Dipankar; Sunoj, Raghavan B.
Org. Lett., 2008, 10, 3651
Enantio- and Diastereoselectivities in Chiral Sulfur Ylide Promoted Asymmetric Aziridination Reactions.
Janardanan, Deepa; Sunoj, Raghavan B.
J. Org. Chem., 2008, 73, 8163-8174
Face-Selective Diels-Alder Reactions between Unsymmetrical Cyclohexadienes and Symmetric trans-Dienophile: An Experimental and Computational Investigation.
Lahiri, Saswati; Yadav, Somnath; Banerjee, Srirupa; Patil, Mahendra P.; Sunoj, Raghavan B.
J. Org. Chem., 2008, 73, 435-444
Mixed-Valent Metals Bridged by a Radical Ligand: Fact or Fiction Based on Structure-Oxidation State Correlations.
Sarkar, Biprajit; Patra, Srikanta; Fiedler, Jan; Sunoj, Raghavan B.; Janardanan, Deepa; Lahiri, Goutam Kumar; Kaim, Wolfgang.
J. Am. Chem. Soc., 2008, 130, 3532-3542
Probing Intramolecular Interactions in Arylselenides Using a Property Descriptor Based Approach.
Roy, Dipankar; Patel, Chandan; Liebman, Joel F.; Sunoj, Raghavan B.
J. Phys. Chem. A, 2008, 112, 8797-8803
The role of noninnocent solvent molecules in organocatalyzed asymmetric Michael addition reactions.
Patil, Mahendra P.; Sunoj, Raghavan B.
Chem. - Eur. J., 2008, 14, 10472-10485
Unraveling high precision stereocontrol in a triple cascade organocatalytic reaction.
Shinisha, C. B.; Sunoj, Raghavan B.
Org. Biomol. Chem., 2008, 6, 3921-3929
Water catalysis in the Morita-Baylis-Hillman reaction: a mechanistic perspective.
Roy, Dipankar; Sunoj, Raghavan B.
Chem. - Eur. J., 2008, 14, 10530-10534
Ab Initio and Density Functional Theory Evidence on the Rate-Limiting Step in the Morita-Baylis-Hillman Reaction.
Roy, Dipankar; Sunoj, Raghavan B.
Org. Lett., 2007, 9, 4873-4876
Bicyclic proline analogues as organocatalysts for stereoselective aldol reactions: an in silico DFT study.
Shinisha, C. B.; Sunoj, Raghavan B.
Org. Biomol. Chem., 2007, 5, 1287-1294
Computational investigations on the general reaction profile and diastereoselectivity in sulfur ylide promoted aziridination.
Janardanan, Deepa; Sunoj, Raghavan B.
Chem. - Eur. J., 2007, 13, 4805-4815
Density Functional Theory Investigations on Sulfur Ylide Promoted Cyclopropanation Reactions: Insights on Mechanism and Diastereoselection Issues.
Janardanan, Deepa; Sunoj, Raghavan B.
J. Org. Chem., 2007, 72, 331-341
Insights on Co-Catalyst-Promoted Enamine Formation between Dimethylamine and Propanal through Ab Initio and Density Functional Theory Study.
Patil, Mahendra P.; Sunoj, Raghavan B.
J. Org. Chem., 2007, 72, 8202-8215
Intramolecular nonbonding interactions in organoseleniums: Quantification using a computational thermochemical approach.
Roy, Dipankar; Sunoj, Raghavan B.
J. Mol. Struct.: THEOCHEM, 2007, 809, 145-152
Multiple one-electron oxidation and reduction of trinuclear bis(2,4-pentanedionato)ruthenium complexes with substituted diquinoxalino[2,3-a:2',3'-c]phenazine ligands.
Ghumaan, Sandeep; Sarkar, Biprajit; Patil, Mahendra P.; Fiedler, Jan; Sunoj, Raghavan B.; Kaim, Wolfgang; Lahiri, Goutam Kumar.
Polyhedron, 2007, 26, 3409-3418
Valence-state distribution in the ruthenium o-quinonoid systems [Ru(trpy)(Cl)(L1)]+ and [Ru(trpy)(Cl)(L2)]+ (L1 = o-iminobenzoquinone, L2 = o-diiminobenzoquinone; trpy = 2,2':6',2''-terpyridine).
Maji, Somnath; Patra, Srikanta; Chakraborty, Saumen; Janardanan, Deepa; Mobin, Shaikh M.; Sunoj, Raghavan B.; Lahiri, Goutam Kumar.
Eur. J. Inorg. Chem., 2007, , 314-323
A cationic (N-heterocyclic carbene)silver complex as catalyst for bulk ring-opening polymerization of L-lactides.
Samantaray, Manoja K.; Katiyar, Vimal; Roy, Dipankar; Pang, Keliang; Nanavati, Hemant; Stephen, Raji; Sunoj, Raghavan B.; Ghosh, Prasenjit.
Eur. J. Inorg. Chem., 2006, , 2975-2984
An experimental and density functional theory approach towards the establishment of preferential metal- or ligand-based electron-transfer processes in large quinonoid-bridged diruthenium complexes [{(aap)2Ru}2(μ-BL2-)]n+ (aap = 2-arylazopyridine).
Ghumaan, Sandeep; Mukherjee, Sriparna; Kar, Sanjib; Roy, Dipankar; Mobin, Shaikh M.; Sunoj, Raghavan B.; Lahiri, Goutam Kumar.
Eur. J. Inorg. Chem., 2006, , 4426-4441
Anomalous excited-state dynamics of Lucifer Yellow CH in solvents of high polarity: Evidence for an intramolecular proton transfer.
Panda, Debashis; Mishra, Padmaja P.; Khatua, Saumyakanti; Koner, Apurba L.; Sunoj, Raghavan B.; Datta, Anindya.
J. Phys. Chem. A, 2006, 110, 5585-5591
Density functional theory and atoms-in-molecule study on the role of two-electron stabilizing interactions in retro Diels-Alder reaction of cycloadducts derived from substituted cyclopentadiene and p-benzoquinone.
Patil, Mahendra P.; Sunoj, Raghavan B.
Org. Biomol. Chem., 2006, 4, 3923-3930
Experimental and theoretical studies of a silver complex of O-functionalized N-heterocyclic carbene.
Samantaray, Manoja K.; Roy, Dipankar; Patra, Ahindra; Stephen, Raji; Saikh, Mobin; Sunoj, Raghavan B.; Ghosh, Prasenjit.
J. Organomet. Chem., 2006, 691, 3797-3805
Quantification of Intramolecular Nonbonding Interactions in Organochalcogens.
Roy, Dipankar; Sunoj, Raghavan B.
J. Phys. Chem. A, 2006, 110, 5942-5947
2,5-Dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: Different oxidation state distributions in complexes [{(bpy)2Ru}2(μ-H2L)]n (n = 0 , +, 2+, 3+, 4+) and [{(acac)2Ru}2(μ-H2L)]m (m =
Kar, Sanjib; Sarkar, Biprajit; Ghumaan, Sandeep; Janardanan, Deepa; van Slageren, Joris; Fiedler, Jan; Puranik, Vedavati G.; Sunoj, Raghavan B.; Kaim, Wolfgang; Lahiri, Goutam Kumar.
Chem. - Eur. J., 2005, 11, 4901-4911
A New Coordination Mode of the Photometric Reagent Glyoxalbis(2-hydroxyanil) (H2gbha): Bis-Bidentate Bridging by gbha2- in the Redox Series {(μ-gbha)[Ru(acac)2]2}n (n = -2, -1, 0, +1, +2), Including a Radical-Bridged Diruthenium(III) and a RuIII/RuIV Inte
Kar, Sanjib; Sarkar, Biprajit; Ghumaan, Sandeep; Roy, Dipankar; Urbanos, Francisco A.; Fiedler, Jan; Sunoj, Raghavan B.; Jimenez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar.
Inorg. Chem., 2005, 44, 8715-8722
Isomeric ruthenium terpyridine complexes [Ru(trpy)(L)Cl]n+ containing the unsymmetrically bidentate acceptor L = 3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine. Synthesis, structures, electrochemistry, spectroscopy and DFT calculations.
Patra, Srikanta; Sarkar, Biprajit; Ghumaan, Sandeep; Patil, Mahendra P.; Mobin, Shaikh M.; Sunoj, Raghavan B.; Kaim, Wolfgang; Lahiri, Goutam Kumar.
Dalton Trans., 2005, , 1188-1194
Theoretical and experimental evidence for a new kind of spin-coupled singlet species: Isomeric mixed-valent complexes bridged by a radical anion ligand.
Sarkar, Biprajit; Patra, Srikanta; Fiedler, Jan; Sunoj, Raghavan B.; Janardanan, Deepa; Mobin, Shaikh M.; Niemeyer, Mark; Lahiri, Goutam Kumar; Kaim, Wolfgang.
Angew. Chem., Int. Ed., 2005, 44, 5655-5658
Enhanced Diastereoselectivity via Confinement: Diastereoselective Photoisomerization of 2,3-Diphenyl-1-benzoylcyclopropane Derivatives within Zeolites.
Sivaguru, J.; Sunoj, Raghavan. B.; Wada, Takehiko; Origane, Yumi; Inoue, Yoshihisa; Ramamurthy, V.
J. Org. Chem., 2004, 69, 5528-5536
Enhanced Diastereoselectivity via Confinement: Photoisomerization of 2,3-Diphenylcyclopropane-1-carboxylic Acid Derivatives within Zeolites.
Sivaguru, J.; Sunoj, Raghavan B.; Wada, Takehiko; Origane, Yumi; Inoue, Yoshihisa; Ramamurthy, Vaidhyanathan.
J. Org. Chem., 2004, 69, 6533-6547
A New Approach to Evaluating the Extent of Michael Adduct Formation to PAH Quinones: Tetramethylammonium Hydroxide (TMAH) Thermochemolysis with GC/MS.
Briggs, Mary K.; Desavis, Emmanuel; Mazzer, Paula A.; Sunoj, R. B.; Hatcher, Susan A.; Hadad, Christopher M.; Hatcher, Patrick G.
Chem. Res. Toxicol., 2003, 16, 1484-1492
Alkali Ion-Controlled Excited-State Ordering of Acetophenones Included in Zeolites: Emission, Solid-State NMR, and Computational Studies.
Shailaja, J.; Lakshminarasimhan, P. H.; Pradhan, Ajit R.; Sunoj, R. B.; Jockusch, Steffen; Karthikeyan, S.; Uppili, Sundararajan; Chandrasekhar, J.; Turro, Nicholas J.; Ramamurthy, V.
J. Phys. Chem. A, 2003, 107, 3187-3198
Controlling chemistry with cations: photochemistry within zeolites.
Ramamurthy, V.; Shailaja, J.; Kaanumalle, Lakshmi S.; Sunoj, R. B.; Chandrasekhar, J.
Chem. Commun. (Cambridge, U. K.), 2003, , 1987-1999
Photochemistry of 1-(N,N-Diethylamino)diazen-1-ium-1,2-diolate: An Experimental and Computational Investigation.
Pavlos, Christopher M.; Cohen, Andrew D.; D'Sa, Raechelle A.; Sunoj, R. B.; Wasylenko, Walter A.; Kapur, Preeya; Relyea, Heather A.; Kumar, Neema A.; Hadad, Christopher M.; Toscano, John P.
J. Am. Chem. Soc., 2003, 125, 14934-14940
Direct and sensitized (energy and electron transfer) geometric isomerization of stilbene within zeolites: a comparison between solution and zeolite as reaction media.
Lakshminarasimhan, P. H.; Sunoj, R. B.; Karthikeyan, S.; Chandrasekhar, J.; Johnston, Linda J.; Ramamurthy, V.
J. Photochem. Photobiol., A, 2002, 153, 41-53
Light-Induced Geometric Isomerization of 1,2-Diphenylcyclopropanes Included within Y Zeolites: Role of Cation-Guest Binding.
Kaanumalle, Lakshmi S.; Sivaguru, J.; Sunoj, R. B.; Lakshminarasimhan, P. H.; Chandrasekhar, J.; Ramamurthy, V.
J. Org. Chem., 2002, 67, 8711-8720
Rearrangement Pathways of 2-Hydroxy-2-methylpropylidene: An Experimental and Computational Study.
Farlow, Robin A.; Thamattoor, Dasan M.; Sunoj, R. B.; Hadad, Christopher M.
J. Org. Chem., 2002, 67, 3257-3265
Configuration interaction and density functional study of the influence of lithium cation complexation on vertical and adiabatic excitation energies of enones.
Sunoj, R. B.; Lakshminarasimhan, P.; Ramamurthy, V.; Chandrasekhar, J.
J. Comput. Chem., 2001, 22, 1598-1604
Controlling the reactive state through cation binding: photochemistry of enones within zeolites.
Uppili, S.; Takagi, S.; Sunoj, R. B.; Lakshminarasimhan, P.; Chandrasekhar, J.; Ramamurthy, V.
Tetrahedron Lett., 2001, 42, 2079-2083
Cation-π Interaction Controlled Selective Geometric Photoisomerization of Diphenylcyclopropane.
Lakshminarasimhan, P.; Sunoj, R. B.; Chandrasekhar, J.; Ramamurthy, V.
J. Am. Chem. Soc., 2000, 122, 4815-4816
Cation-π-Interaction Promoted Aggregation of Aromatic Molecules and Energy Transfer within Y Zeolites.
Thomas, K. J.; Sunoj, R. B.; Chandrasekhar, J.; Ramamurthy, V.
Langmuir, 2000, 16, 4912-4921
Singlet Oxygen Mediated Oxidation of Olefins within Zeolites: Selectivity and Complexities.
Shailaja, J.; Sivaguru, J.; Robbins, R. J.; Ramamurthy, V.; Sunoj, R. B.; Chandrasekhar, J.
Tetrahedron, 2000, 56, 6927-6943
Modulation of Lifetimes and Diastereomeric Discrimination in Triplet-Excited Substituted Butane-1,4-diones through Intramolecular Charge-Transfer Quenching.
Moorthy, J. N.; Monahan, S. L.; Sunoj, R. B.; Chandrasekhar, J.; Bohne, C.
J. Am. Chem. Soc., 1999, 121, 3093-3103