Appraisal of through-bond and through-space substituent effects via molecular electrostatic potential topography

Journal of Physical Chemistry A

Volumn 114, Issue 46, 2010, Pages 12330-12333

  Sayyed, Fareed Bhasha ^a   Suresh, Cherumuttathu H ^a   Gadre, Shridhar R ^b,c  

^a REGIONAL RESEARCH LABORATORY CSIR   (India)

^b UNIVERSITY OF PUNE   (India)

^c INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ALKENYL; ALKYL CHAIN; ALKYNYL ARENES; AROMATIC RINGS; MOLECULAR ELECTROSTATIC POTENTIALS; SUBSTITUENT EFFECT; TOPOGRAPHICAL ANALYSIS;

ALKYLATION; ELECTROSTATICS; MOLECULAR INTERACTIONS;

AROMATIC COMPOUNDS;

AROMATIC HYDROCARBON;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; STATIC ELECTRICITY;

HYDROCARBONS, AROMATIC; MODELS, CHEMICAL; MOLECULAR STRUCTURE; STATIC ELECTRICITY;

EID: 78649610999     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp107689z     Document Type: Article

References (25)

1. Jaffe, H. H. Chem. Rev. 1953, 53, 191-261
2. Krygowski, T. M Stepien, B. T. Chem. Rev. 2005, 105, 3482-3512
3. Fersner, A Karty, J. M Mo, Y. J. Org. Chem. 2009, 74, 7245-7253
4. Hammett, L. P. J. Am. Chem. Soc. 1937, 59, 96-103
5. Hansch, C Leo, A Taft, R. W. Chem. Rev. 1991, 91, 165-195
6. Taft, R. W. J. Am. Chem. Soc. 1953, 75, 4231-4238
7. Suresh, C. H Alexander, P Vijayalakshmi, K. P Sajith, P. K Gadre, S. R. Phys. Chem. Chem. Phys. 2008, 10, 6492-6499
8. Sayyed, F. B Suresh, C. H. Tetrahedron Lett. 2009, 50, 7351-7354
9. Roberts, J. D Moreland, W. T. J. Am. Chem. Soc. 1953, 75, 2167-2173
10. Katritzky, A. R Topsom, R. D. Chem. Rev. 1977, 77, 639-658
11. Galkin, V. I. J. Phys. Org. Chem. 1999, 12, 283-288
12. Nolan, E. M; Linck, R. G J. Am. Chem. Soc. 2000, 122, 11497-11506
13. Bowden, K Grubbs, E. J. Chem. Soc. Rev. 1996, 25, 171-177
14. Charton, M. J. Phys. Org. Chem. 1999, 12, 275-282
15. Adcock, W Trout, N. A. Chem. Rev. 1999, 99, 1415-1435
16. Exner, O. J. Phys. Org. Chem. 1999, 12, 265-274
17. Wheeler, S. E Houk, K. N. J. Chem. Theory Comput. 2009, 5, 2301-2312
18. Wheeler, S. E Houk, K. N. J. Am. Chem. Soc. 2008, 130, 10854-10855
19. Wheeler, S. E Houk, K. N. J. Am. Chem. Soc. 2009, 131, 3126-3127
20. Frisch, M. J Trucks, G. W Schlegel, H. B Scuseria, G. E Robb, M. A Cheeseman, J. R Montgomery, J. A Vreven, J. T; Kudin, K. N Burant, J. C Millam, J. M Iyengar, S. S Tomasi, J Barone, V Mennucci, B Cossi, M Scalmani, G Rega, N Petersson, G. A Nakatsuji, H Hada, M Ehara, M Toyota, K Fukuda, R Hasegawa, J Ishida, M Nakajima, T Honda, Y Kitao, O Nakai, H Klene, M Li, X Knox, J. E Hratchian, H. P Cross, J. B Bakken, V Adamo, C Jaramillo, J Gomperts, R Stratmann, R. E Yazyev, O Austin, A. J Cammi, R Pomelli, C Ochterski, J. W Ayala, P. Y Morokuma, K Voth, G. A Salvador, P Dannenberg, J. J Zakrzewski, V. G Dapprich, S Daniels, A. D Strain, M. C Farkas, O Malick, D. K Rabuck, A. D Raghavachari, K Foresman, J. B Ortiz, J. V Cui, Q Baboul, A. G Clifford, S Cioslowski, J Stefanov, B. B Liu, G Liashenko, A Piskorz, P Komaromi, I Martin, R. L Fox, D. J Keith, T Al-Laham, M. A Peng, C. Y Nanayakkara, A Challacombe, M Gill, P. M. W Johnson, B Chen, W Wong, M. W Gonzalez, C Pople, J. A. Gaussian 03, Revision E.01; Gaussian Inc. Wallingford CT, 2004.
21. Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652
22. Suresh, C. H Gadre, S. R. J. Phys. Chem. A 2007, 111, 710-714
23. Gadre, S. R Kulkarni, S. A Suresh, C. H Shrivastava, I. H. Chem. Phys. Lett. 1995, 239, 273-281
24. Sayyed, F. B Suresh, C. H. New. J. Chem. 2009, 33, 2465-2471
25. Katritzky, A. R Topsom, R. D. J. Chem. Educ. 1971, 48, 427-443