1. P. W. Peterson1, N. Shevshenko1, B. Breiner, M. Manoharan, F. Lufti, J. Delaune, M. Kingsley, J. Rubin, K. Kovnir, and I. V. Alabugin, Orbital Crossings Activated Through Electron Injection: Opening Communication between Orbital Overlaps, J. Am. Chem. Chem. (in press).
2. I. V. Alabugin, S. Bresch and M. Manoharan, Expanding the Bent’s Rule Beyond Carbon. Hybridization Trends for Main Group Elements: More than Electronegativity. J. Phys. Chem. A. 2014, 118, 3663.
3. S. Mondal, R. Mohamed, M. Manoharan, H. Phan and I. V. Alabugin, Drawing from Pool of Radicals for the Design of Selective Enyne Cyclizations. Org. Lett. 2013, 15, 5650.
4. C. A.H. Aguilara, J. Narayanan, M. Manoharan, T. Pandiyan, A Much-Needed Mechanism and Reaction Rate for the Oxidation of Phenols with ClO2: A Joint Experimental and Computational Study. Aus. J. Chem. 2013, 66, 814.
5. K. M. Anderson, A. Esadze, M. Manoharan, R. Brüschweiler, D. G. Gorenstein, and J. Iwahara, Direct Observation of the Ion-Pair Dynamics at a Protein−DNA Interface by NMR Spectroscopy. J. Am. Chem. Soc., 2013, 135, 3613.
6. D. V. Vidhani, J. W. Cran, M. E. Krafft, M. Manoharan, and I. V. Alabugin, Gold(I)-Catalyzed Claisen Rearrangement of Allenyl Vinyl Ethers: Missing Transition States Revealed through Evolution of Aromaticity, Au(I) as an Oxophilic Lewis Acid, and Lower Energy Barriers from a High Energy Complex. J. Org. Chem. 2013, 78, 2059.
7. K. Gilmore and M. Manoharan, J. I-. C. Wu, P.v.R. Schleyer, I. V. Alabugin, Aromatic Transition States in Non-Pericyclic Reactions: Anionic 5-Endo Cyclizations as Aborted Sigmatropic Shifts. J. Am. Chem. Soc. 2012, 134, 10584.
8. I. V. Alabugin, K. Gilmore and M. Manoharan, Rules for Anionic and Radical Anionic Ring-Closure of Alkynes. J. Am. Chem. Soc. 2011, 133, 12608.
9. I. V. Alabugin, R. Pal, R. J. Clark and M. Manoharan, Anionic Oxy-Cope Rearrangements of 1,5-Hexadiyn-3,4-olates: Can Dissociative Transition State “Cope” with Steric Repulsion? From Fragmentations to Substitution-Controlled Diverging Cascades Forming Cyclobutene and Cyclopentenone Products through a Common Bis-allenic Intermediate. J. Org. Chem.2010, 75, 8689.
10. S. F.Vasilevsky, T. F. Mikhailovskaya, V. I. Mamatyuk, G. A. Bogdanchikov, M. Manoharan, I. V. Alabugin, Tuning Selectivity of Anionic Cyclizations: Competition between 5-Exo and 6-Endo-dig Closures of Hydrazides of o-Acetylenyl Benzoic Acids and Based-catalyzed Fragmentation/Recyclization of the Initial 5-Exo-Dig Products, J. Org. Chem. 2009, 74, 8106.
11. I.V. Alabugin, G. Gilmore, S. Patil, M. Manoharan and I. Ghiviriga, Radical Cascade Transformations of Tris-(o-aryleneethynylenes) into Substituted Benzo[a]indeno[2,1-c]fluorenes J. Am. Chem. Soc. 2008, 130, 11535.
12. I.V. Alabugin, V. Tymokhin, J. Abrams, M. Manoharan, R. Abrams and I. Ghiviriga. In Search of Efficient 5-Endo-dig Cyclization of a Carbon-Centered Radical: 40 Years from a Prediction to Another Success for the Baldwin Rules. J. Am. Chem. Soc. 2008, 130, 10984.
13. I. V. Alabugin, B. Breiner and M. Manoharan, Clycloaromatization Reactions: the Testing Ground for Theory and Experiment. Adv. Phys. Org. Chem. 2007, 42, 1.
14. I. V. Alabugin, M. Manoharan, M. Buck and R. J. Clark, Substituted Anilines: The Tug-Off-War between Pyramidalization Resonance Inside and Outside of Crystal Cavities. J. Mol. Struct. (Theochem) 2007, 813, 21.
15. I. V. Alabugin and M. Manoharan Rehybridization as a General Mechanism for Maximizing Chemical and Supramolecular Bonding and a Driving Force for Chemical Reactions. J. Comp. Chem. 2007, 28, 373. Special issue “Chemical Bonding after 90 Years”.
16. F. C. Pickard IV, R. L. Shepherd, A. E. Gillis, M. E. Dunn, S. Feldgus, K. N. Kirschner, G. C. Shields, M. Manoharan and I. V. Alabugin, Ortho-Effect in the Bergman Cyclization: Electronic and Steric Effects in Hydrogen Abstraction by 1-Substituted Naphthalene 5,8-Diradicals. J. Phys. Chem. A, 2006, 110, 2517.
17. T. A. Zeidan, S. V. Kovalenko, M. Manoharan and I. V. Alabugin Ortho-Effect in the Bergman Cyclization: Steric Acceleration by Acceptor Substituents, J. Org. Chem. 2006, 71, 962.
18. T. A. Zeidan, M. Manoharan and I. V. Alabugin, Ortho-Effect in the Bergman Cyclization: Interception of p-Benzyne Intermediate by Intramolecular Hydrogen Abstraction, J. Org. Chem.2006, 71, 954.
19. I. V. Alabugin and M. Manoharan, Thermodynamic and Strain Effects in the Competition Between 5-Exo-dig and 6-Endo-Dig Cyclizations of Vinyl and Aryl Radicals, J. Am. Chem. Soc. 2005, 127, 12583.
20. I. V. Alabugin and M. Manoharan, 5-Endo-Dig Radical Cyclizations – “The Poor Cousins” of the Radical Cyclizations Family, J. Am. Chem. Soc. 2005, 127, 9534
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Tags: SchoolofSEM curefacultymentor2017
Assistant Professor Natural Sciences, College of Science, Engineering and Mathematics
2017 Faculty Cure Mentor
Education & Research Experience:
Current research interests:
Computational Organic Chemistry: