Effect of methyl group on the cooperativity of CH···O blue-shifted hydrogen bond in HCHO-HCHO-HCHO cyclic complex

Journal of Molecular Structure: THEOCHEM

Volumn 861, Issue 1-3, 2008, Pages 14-17

  Li, Qingzhong ^a   Liu, Haiping ^b   An, Xiulin ^a   Gong, Baoan ^a   Cheng, Jianbo ^a  

^a YANTAI UNIVERSITY   (China)

^b Hebei North Academy   (China)

Author keywords

Blue shift; Cooperativity; Formaldehyde; Hydrogen bond; Methyl group

Indexed keywords

EID: 45549097977     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.04.002     Document Type: Article

References (32)

1. Zhang Y., and Huang K.X. J. Mol. Struct. (THEOCHEM) 822 (2007) 57
2. Harano Y., Roth R., Sugita Y., Ikeguchi M., and Kinoshit M. Chem. Phys. Lett. 437 (2007) 112
3. Jeffrey G.A., and Saenger W. Hydrogen Bonding in Biological Structures (1991), Springer, New York
4. Joachimiak L.A., Kortemme T., Stoddard B.L., and Baker D. J. Mol. Biol. 361 (2006) 195
5. Soriano A., Castillo R., Christov C., Andres J., Moliner V., and Tunon I. Biochemistry 45 (2006) 14917
6. Obert E., Bellot M., Bouteiller L., Andrioletti F., Lehen-Ferrenbach C., and Boué F. J. Am. Chem. Soc. 129 (2007) 15601
7. Sallenave X., and Bazuin C.G. Macromolecules 40 (2007) 5326
8. Wieczorek R., and Dannenberg J.J. J. Am. Chem. Soc. 125 (2003) 8124
9. Hobza P., and Havlas Z. Chem. Rev. 100 (2000) 4253
10. Ziołkowski M., Grabowski S.J., and Leszczynski J. J. Phys. Chem. A 110 (2006) 6514
11. Kreissler M., Lavialle L., Boggio-Pasqua M., and Hannachi Y. J. Mol. Struct. (THEOCHEM) 452 (1998) 55
12. Kar T., and Scheiner S. J. Phys. Chem. A 108 (2004) 9161
13. Nsangou M., Dhaouadi Z., Jaïdane N., and Ben Lakhdar Z. J. Mol. Struct. (THEOCHEM) 819 (2007) 142
14. Xantheas S.S. Chem. Phys. 258 (2000) 225
15. Li Q.Z., Wu G.S., and Yu Z.W. J. Am. Chem. Soc. 128 (2006) 1438
16. Forda T.A., and Glasser L. J. Mol. Struct. (THEOCHEM) 398 (1997) 381
17. Vila A., Grãna A.M., and Mosquera R.A. Chem. Phys. 281 (2002) 11
18. Scheiner S., and Nagle J.F. J. Phys. Chem. 87 (1983) 4267
19. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553
20. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
21. Wolinski K., Hilton J.F., and Pulay P. J. Am. Chem. Soc. 112 (1990) 8251
22. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, revision B.03, Gaussian, Inc., Pittsburgh, PA, 2003.
23. Li Q.Z., Wang N.N., and Yu Z.W. J. Mol. Struct. (THEOCHEM) 847 (2007) 68
24. Scheiner S., Grabowski S.J., and Kar T. J. Phys. Chem. A 105 (2001) 10607
25. Li Q.Z., An X.L., Luan F., Li W.Z., Gong B.A., Cheng J.B., and Sun J.Z. Int. J. Quantum Chem. 108 (2008) 558
26. Hermida-Ramón J.M., and Rŕos M.A. J. Phys. Chem. A 102 (1998) 10818
27. Hermida-Ramón J.M., and Rŕos M.A. Chem. Phys. Lett. 290 (1998) 431
28. Karpfen A., and Kryachko E.S. J. Phys. Chem. A 109 (2005) 8930
29. Karpfen A., and Kryachko E.S. J. Phys. Chem. A 111 (2007) 8177
30. Joseph J., and Jemmis E.D. J. Am. Chem. Soc. 129 (2007) 4620
31. Li X.S., Liu L., and Schlegel H.B. J. Am. Chem. Soc. 124 (2002) 9639
32. Del Bene J.E., Perera S.A., and Bartlett R.J. J. Phys. Chem. A 103 (1999) 8121