Insight into the electron derealization in phenylacetylenes and phenylvinylenes: An NBO analysis

Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry

Volumn 47, Issue 8, 2008, Pages 1171-1180

  Krishna Chaitanya, G ^a   Thomas, Anup ^a   Sinu, C R ^b   Francis, Biju ^b   Subhashchandran, K P ^b   Ramakrishna, K ^c   Bhanuprakash, K ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

^b Sri Vyasa NSS College   (India)

^c GITAM UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 53549135226     PISSN: 03764710     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (29)

1. Friend R H, Gymer R W, Holmes A B, Burroughes J H, Marks R N, Taliani C, Bradley D D C, Dos Santos D A, Bredas J L, Logdlund M & Salaneck W R, Nature, 397 (1999)121.
2. Bernius M T, Inbasekaran V, O'Brien J & Wu W S, Adv Mater, 12 (2000) 1737.
3. Wallace G G, Dastoor P C, Officer D L & Too C O, Chem Innov, 30 (2000) 14.
4. Brabec C J, Sariciftci N S & Hummelen J C, Adv Funct Mater, 11 (2001) 15.
5. Niazimbetova Z I, Christian H Y, Bhandari Y J, Beyer F L & Gal vin M E, J Phys Chem B, 108 (2004) 8673.
6. Wilson J N, Hardcastle K. I, Josowicz M & Bunz U H F, Tetrahedron, 60 (2004) 7157
7. Wilson J N, Smith M D, Enkelmann V & Bunz U H F, Chem Commun. (2004) 1700.
8. Wilson J N, Josowicz M, Wang Y & Bunz U H F, Chem Commun. (2003) 2962.
9. Wilson J N & Bunz U H F, J Am Chem Soc. 127 (2005) 4124.
10. Zucchero A J, Wilson J N & Bunz U H F, J Am Chem Soc, 128 (2006) 11872.
11. Marsden J A, Miller J J, Shirtcliff L D & Haley M M, J Am Chem Soc, 127 (2005) 2464.
12. Spitler E L, Shirtcliff L D, & Haley M M, J Org Chem. 72 (2007) 86.
13. Samori S, Tojo S, Fujitsuka M, Spitler E L, Haley M M & Majima T, J Org Chem, 72 (2007) 2785.
14. Marsden J A, O'Connor M J & Haley M M, Org Lett, 6 (2004) 2385
15. Yesudas K, Krishna Chaitanya G, Prabhakar Ch, Bhanuprakash K & Jayathirtha Rao V, J Phys Chem A, 110 (2006) 11717.
16. Zhao V, Zhou N, Slepkov A D, Ciulei S C, McDonald R, Hegmann F A & Tykwinski R R, Helv Chim Acta, 90 (2007) 909.
17. Reed A E, Curtiss L A & Weinhold F, Chem Rev, 88 (1988) 899
18. Giuffreda M G, Bruschi M & Lüthi H P, Chem Eur J, 10 (2004) 5671.
19. Bruschi M, Giuffreda MG, Lüthi H P, Chem Eur J, 8 (2002) 4216.
20. (a) Becke A D, J Chem Phys, 84 (1986) 4524;
21. (b) Becke A D, J Chem Phys, 88 (1988) 2547;
22. (c) Lee C, Yang W & Parr R G, Phys Rev B, 37 (1988) 785;
23. (d) Becke A D, J Chem Phys, 88 (1988) 1053;
24. (e) Becke A D, J Chem Phys, 98 (1993) 5648;
25. (f) Kohn W & Sham L, J Phys Rev A, 140 (1965) 1133.
26. McLean A D & Chandler G S, Chem Phys, 72 (1980) 5639.
27. (b) Krishnan R, Binkley J S, Seeger R & Pople J A, J Chem Phys, 72 (1980) 650.
28. Gaussian 03, Rev 01, (Gaussian, Inc., Wallingford, CT) 2004.
29. NBO Ver 3.1, (Theoretical Chemistry Institute, University of Wisconsin, Madison) 1995.