General Information: 
Chaitanya S. Wannere 
Center for Computational Chemistry
Department of Chemistry
University of Georgia
Athens, GA  30602
706-542-7383
Email:
cwannere[at]ccc[dot]uga[dot]edu

Education:

 Post-Doctoral Research ,
The University of Georgia.


Ph.D. Chemistry,
The University of Georgia.

M.S. Chemistry,
Indian Institute of Technology-Bombay, Powai. India.

B.S. Chemistry,
The University of Bombay.

Research Interests:

 1. New Indices of Aromaticity

2. Annulenes

3. Möbius Twists and Molecular Beauty in Annulenes

4. 1H NMR Chemical Shifts

5. "Neutral" Nonclassical Carbocations

Publications:

 Contact me for preprints, where available.
Last update: Dec. 20 2006


25. Myriad Planar Hexacoordinate Carbon Molecules Inviting Synthesis Ito, K.; Chen, Z.; Corminboeuf, C.; Wannere, C. S.; Li, Q. S.; Zhang, X. H.; Schleyer, P. v. R. J. Am. Chem. Soc. submitted.

24. A Trimetallic Fulvalene-Bridged Dizirconocene-Gallium Complex Quillian, B.; Wang, Y.; Wannere, C. S.; Wei, P.; Schleyer, P. v. R.; Robinson, G. H. Angew. Chem. Int. Ed. Engl. , 2007 , accepted.

23. The Existence of Secondary Orbital Interactions Wannere, C. S.; Paul, A.; Herges, R.; Schaefer III, H. F.; Houk, K. N.; Schleyer, P. v. R.; J. Comput. Chem. 2007 , 28 , 344.

22. Planar tetracoordinate carbon atoms centered in bare four-membered rings of late transition Metals Roy, D.; Corminboeuf, C.; Wannere, C. S.; King, R. B.; Schleyer, P. v. R. Inorg. Chem. , 2006 , 45 , 8902.

21. A Self-Assembled Organometallic Sphere: [{(t-BuC5H4)(t-BuC5H3)Zr(u-H)Na}2]4 Wang, Y.; Quilian, B.; Wei, P.; Wannere, C. S.; Schleyer P. v. R.; Robinson, G. R. Organometallics 2006 , 27, 3286.

20. Which NICS aromaticity index for planar pi rings is best? Fallah-Bagher-Shaidaei, H.; Wannere, C. S.; Corminboeuf, C.; Puchta, R.; Schleyer, P. v. R.; Org. Lett. 2006, 8, 863.

19. Octahedral and Tetrahedral Coinage Metal Clusters: Is Three-dimensional d-orbital Aromaticity Viable? Corminboeuf, C.; Wannere, C. S.; Roy, D.; King, R. B.; Schleyer, P. v. R.; Inorg. Chem. 2006, 45, 214.

18. Effects of Fluorine on the Structures and Energetics of Propynyl and Propargyl radicals, and their anions Sreeruttun, R. K.; Ponnadurai R.; Paul, A.; Wannere, C. S.; Schaefer, III H. F. J. Org. Chem., 2005, 70, 8676.

17. Nucleus Independent Chemical Shifts (NICS) as an Aromaticity Criterion Chen, Z.; Wannere, C. S.; Corminboeuf, C.; Puchta, R.; Schleyer, P. v. R. Chem. Rev. 2005, 105, 3842.

16. A Zirconocene- Complexed Dibismuthene: Cp2Zr(BiR)2 (Cp = C5H5; C6H3-2,6-Mes2) Wang, Y.; Quilian, B.; Yang, X-J.; Wei, P.; Chen, Z.; Wannere, C. S.; Schleyer P. v. R.; Robinson, G. R. J. Am. Chem. Soc. 2005 , 127, 7672.

15. Downfield Proton Chemical Shifts are Not Reliable Aromaticity Indicators Wannere, C. S.; Corminboeuf, C.; Allen, W. D.; Schaefer III, H. F.; Schleyer, P. v. R. Org. Lett. 2005, 7(8), 1457.

14. The Peculiar Trend of Cyclic Perfluoroalkane Electron Affinities with Increasing Ring Size Paul, A.; Wannere, C. S.; Schleyer, P. v. R.; Schaefer III, H. F. J. Am. Chem. Soc. 2005 , 127, 15457.

13. Investigation of a Putative Möbius Aromatic Hydrocarbon. The Effect of Benzannelation on Aromaticity in Möbius [4n]Annulenes Castro, C.; Chen, Z.; Wannere, C. S.; Jiao, H.; Karney, W. L.; Mauksch, M.; Puchta, R.; Hommes, N. J. R. v. E.; Schleyer, P. v. R. J. Am. Chem. Soc. 2005, 127 (8), 2425.

12. Square Planar Coinage Metal Clusters: Evidence for the Existence of "d" Orbital Aromaticity Wannere, C. S.; Corminboeuf, C.; Wodrich, M. D.; King, R. B.; Schleyer, P. v. R.; J. Am. Chem. Soc. 2005, 127 (15), 5701.

11. The Alkylethynyl Radicals, ·CºC-CnH2n+1, and their Anions Sreeruttun, R. K.; Ramasami, P.; Yan, G.; Wannere, C. S.; Schleyer, P. v. R.; Schaefer III, H. F. Int. J. Mass Spectr. 2005, 241 (2-3), 295.

10. How Large is the Conjugative Stabilization of Diynes? Jarowski, P. D.; Wodrich, M. D.; Wannere, C. S.; Schleyer, P. v. R.; Houk, K. N.; J. Am. Chem. Soc. 2004 126 15036

9. Aromaticity. The Alternating CC Bond Length Structures of [14]-, [18]-, and [22]Annulene Wannere, C. S.;Sattelmeyer, K. W.; Schaefer III, H. F.; Schleyer, P. v. R.; Angew. Chem. Int. Ed. Engl. 2004; 43(32); 4200.

8. Do Linear Chain Perfluoroalkanes Bind an Electron? Paul,A.; Wannere, C. S.; Schaefer III, H. F.; J. Phys. Chem. A 2004 108(43); 9428.

7. Zwitterionic Neutral and Anionic Carbocations Wannere, C. S.; Chen, Z.; Schleyer, P. v. R.; Carbocation Chemistry; Wiley: New York, 2004 ; pp 43-70.

6. On the Stability of Large [4n]Annulenes Wannere, C.S.; Moran, D.; Schaad, L. J.; Hess, B. A.; Allinger, N. L.; Schleyer, P. v. R.; Org. Lett. 2003; 5 (1); 2983.

5. How Aromatic are Large (4n+2) π Annulenes? Wannere, C. S.; Schleyer, P. v. R.; Org. Lett. 2003; 5 (1); 865.

4. How do Ring Current Affect 1H NMR Chemical Shifts? Wannere, C. S.; Schleyer, P. v. R.; Org. Lett. 2003; 5; 605.

3. Diels-Alder reaction of phosphaethene with 1,3-dienes: An ab initio study. Wannere, C. S.; Bansal, R. K.; Schleyer, P. v. R.; J. Org. Chem. 2002; 67; 9162.

2. Strain and reactivity: Electrophilic addition of bromine and tribromide salts to cyclic allenes . Chiappe, C.; De Rubertis, A.; Detert, H.; Lenoir, D.; Wannere, C. S.; Schleyer, P. v. R.; Chem. Eur. J. 2002; 8; 967.

1. A theoretical prediction of potentially observable lithium compounds with planar tetracoordinate carbons. Wang, Z. X.; Manojkumar, T. K.; Wannere, C. S.; Schleyer PV; Org. Lett. 2001; 3; 1249.