Double proton transfers in complexes of formic acid with CH4, NH3, H2O, HF and H2

Chemical Physics Letters

Volumn 262, Issue 3-4, 1996, Pages 194-200

  Minyaev, Ruslan M ^a  

^a SOUTHERN FEDERAL UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030588914     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)01102-5     Document Type: Article

References (34)

1. [1] G.A. Jeffrey and W. Saenger, Hydrogen bonding in biological structures (Springer-Verlag, Berlin, 1991).
2. [2] R. Desiraju, Acc. Chem. Res. 24 (1991) 290.
3. [3] F. Hibbert, Adv. Phys. Org. Chem. 22 (1986) 113.
4. [4] H. Dugas, Bioorganic chemistry. A chemical approach to enzyme action (Springer, Berlin, 1996).
5. [5] A.J. Kirby, Angew. Chem. Int. Ed. Engl. 35 (1996) 707.
6. [6] V.I. Minkin, B.Ya. Simkin and R.M. Minyaev, Quantum chemistry of organic compounds. Mechanisms of reactions (Springer-Verlag, Berlin, 1990).
7. [7] H.-B. Burgi and J. Dunitz, Acc. Chem. Res. 16 (1983) 153.
8. [8] S. Scheiner, Acc. Chem. Res. 18 (1985) 174; 27 (1994) 402.
9. [8] S. Scheiner, Acc. Chem. Res. 18 (1985) 174; 27 (1994) 402.
10. [9] A.J. Kirby, Adv. Phys. Org. Chem. 29 (1994) 87.
11. [10] W.J. Bouma, M.A. Vincent and L. Radom, Int. J. Quantum Chem. 14 (1976) 767.
12. [11] M.R. Peterson and I.G. Csizmadia, J. Am. Chem. Soc. 101 (1979) 1076.
13. [12] K.A. Nguyen, M.S. Gordon and D.G. Truhlar, J. Am. Chem. Soc. 113 (1991) 1596.
14. [13] O. Zhang, R. Bell and T.N. Truong, J. Phys. Chem. 99 (1995) 592.
15. [14] M. Nagaoka, Y. Okuno and T. Yamabe, J. Phys. Chem. 98 (1994) 12506.
16. [15] S. Hayashi, J. Umemura, S. Kato and K. Morokuma. J. Phys. Chem. 88 (1984) 1330.
17. [16] R. Nakamura and S. Hayashi, J. Mol. Struct. THEOCHEM 145 (1986) 331.
18. [17] Y.-T. Chang, Y. Yamaguchi, W.H. Miller and H.F. Schaefer III, J. Am. Chem. Soc. 109 (1987) 7245.
19. [18] P. Svensson, N.-A. Bergman and P. Ahlberg, J. Chem. Soc. Chem. Commun. (1990) 862.
20. [19] A. Almenningen, O. Bastiansen and T. Motzfeld, Acta Chem. Scand. 23 (1969) 2848.
21. [20] C.C. Costain and O.P. Srivatava, J. Chem. Phys. 41 (1964) 1620.
22. [21] P. Svensson, N.-A. Bergman and P. Ahlberg, J. Chem. Soc. Chem. Commun. (1990) 82.
23. [22] K. Fuke and K. Kaya, J. Phys. Chem. 93 (1989) 614.
24. [23] M. Miyake, O. Kaji, N. Nakagawa and T. Suzuki, J. Chem. Soc. Faraday Trans. II 81 (1985) 277.
25. [24] Y. Kim, J. Am. Chem. Soc. 118 (1996) 1522.
26. [25] L. Mesche and H.-H. Limbach, J. Phys. Chem. 95 (1991) 10267.
27. [26] R.M. Minyaev and V.I. Minkin, Russ. Chem. Bull. 44 (1995) 1622.
28. [27] W.J. Hehre, L. Radom, P. v.R. Schleyer and J.A. Pople, Ab initio molecular orbital theory (Wiley, New York, 1986).
29. [28] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachcri, M.A. AlLaham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, GAUSSIAN 94, Revision B.3 (Gaussian, Inc., Pittsburgh, PA, 1995).
30. [29] G.J. Kramer and R.A. van Santen, J. Am. Chem. Soc. 117 (1995) 1766.
31. [30] J. Sauer, Science 271 (1996) 774.
32. [31] P.R. Andrews, M.N. Iskander, G.P. Jones and D.A. Winkler, Int. J. Quantum Chem. Quantum Biol. Symp. 9 (1982) 345.
33. [32] R. Röhse, W. Kutzelnigg, R. Jaquet and W. Klopper, J. Chem. Phys. 101 (1994) 2231.
34. [33] D.V. Gurvich, G.V. Karachevzhev, V.N. Kondrat'ev, Yu.A. Lebedev, V.A. Medvedev, V.E. Potapov and Yu.S. Hodeev, The energy of breaking chemical bonds. Ionisation potential and electron affinity (Nauka, Moscow, 1974).