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Volumn 73, Issue 6, 2008, Pages 2138-2145

Relation between π-electron localization/delocalization and H-bond strength in derivatives of o-hydroxy-schiff bases

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); DERIVATIVES; ELECTRONS; MAGNETIC FIELDS; QUANTUM CHEMISTRY;

EID: 41849109880     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo7023174     Document Type: Article
Times cited : (42)

References (66)
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    • (1976) Solid State Photochemistry , pp. 227
    • Schmidt, G.M.J.1
  • 10
    • 0001811078 scopus 로고
    • Durr, H, Bouas-Laurent, H, Eds, Elsevier: Amsterdam
    • Hadjudis, E. In Photochromism; Durr, H., Bouas-Laurent, H., Eds.; Elsevier: Amsterdam, 1990; p 685.
    • (1990) Photochromism , pp. 685
    • Hadjudis, E.1
  • 42
    • 41849134232 scopus 로고    scopus 로고
    • Gaussian 03, Revision C.02: Frisch, M. J, Tracks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, Jr. J. A, Vreven, 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, Mart
    • Gaussian 03, Revision C.02: Frisch, M. J.; Tracks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, Jr. J. A.; Vreven, 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.; and Pople, J. A. Gaussian, Inc., Wallingford, CT, 2004.
  • 48
    • 41849116607 scopus 로고    scopus 로고
    • AIM2000 designed by F. Biegler-König, University of Applied Sciences, Bielefeld, Germany.
    • AIM2000 designed by F. Biegler-König, University of Applied Sciences, Bielefeld, Germany.
  • 49
    • 41849114860 scopus 로고    scopus 로고
    • The Poincaré-Hopf rule determines a mutual relation between the number of all kinds of critical points. The relation is n, b, r, c, 1, where n stands for the number of nuclear critical points (usually equivalent to the number of atoms, b is the number of bond critical points BCP, r is the number of ring critical points, and c is the number of cage critical points. The Poincaré-Hopf equality is usually taken as the evidence of consistency and completeness of the characteristic set of critical-points. See ref 47 for more details
    • The Poincaré-Hopf rule determines a mutual relation between the number of all kinds of critical points. The relation is n - b + r - c = 1, where n stands for the number of nuclear critical points (usually equivalent to the number of atoms), b is the number of bond critical points (BCP), r is the number of ring critical points, and c is the number of cage critical points. The Poincaré-Hopf equality is usually taken as the evidence of consistency and completeness of the characteristic set of critical-points. See ref 47 for more details.
  • 65
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    • The LINUX and WINDOWS version of the graphic code used to obtain the 3D representation s available free of charge at https://theochem.chimfar.unimo.it/ VEDO3/quasi-ring.
    • The LINUX and WINDOWS version of the graphic code used to obtain the 3D representation s available free of charge at https://theochem.chimfar.unimo.it/ VEDO3/quasi-ring.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.