N-H⋯F improper blue-shifting H-bond

International Journal of Quantum Chemistry

Volumn 90, Issue 3, 2002, Pages 1071-1074

  Hobza, Pavel ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

Ab initio calculations; F 2NH Y (Y FH, OH 2NH 3); H bonds; Improper blue shifting H bonds

Indexed keywords

INTERMOLECULAR COMPLEXES;

CARRIER CONCENTRATION; COMPLEXATION; PROTONS;

HYDROGEN BONDS;

EID: 0037027432     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10313     Document Type: Article

References (7)

1. Scheiner, S. Hydrogen Bonding. Oxford University Press; New York, 1997.
2. Hobza, P.; Havlas, Z. Chem Rev 2000, 100, 4253.
3. Reed, A.E.; Curtiss, L.A.; Weinhold, F. Chem Rev 1988, 88, 899.
4. van der Veken, B.J.; Herrebout, W.A.; Szostak, R.; Shepkin, D.N.; Havlas, Z.; Hobza, P. J Am Chem Soc 2001, 123, 12290.
5. Boys, S.F.; Bernardi, F. Mol Phys 1970, 19, 553.
6. Frish, M.J.; Trucks, G.W.; Schlegel, H.B.; Seuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A. Jr.; Stratman, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennuci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Ciolowski, J.; Ortiz, J.V.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, J.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzales, C.; Challacombe, M.; Gill, P.M.W.; Johnson, B.; Chen, W.; Wong, M.W.; Andres, J.L.; Gonzales, C.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98 (Revision A.6); Gaussian: Pittsburgh, 1998.
7. Hobza, P. Phys Chem Chem Phys 2001, 3, 2555.