Ab initio GB study of prebiotic synthesis of purine precursors from aqueous hydrogen cyanide: Dimerization reaction of HCN in aqueous solution

Journal of Molecular Structure: THEOCHEM

Volumn 507, Issue 1-3, 2000, Pages 53-62

  Kikuchi, Osamu ^a   Watanabe, Toshio ^a   Satoh, Yusuke ^a   Inadomi, Yuichi ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

Ab initio GB method; Dimerization of HCN; Prebiotic synthesis; Reaction mechanism; Solvent effect

Indexed keywords

ACETONITRILE; AMMONIA; CYANIDE; HYDROGEN CYANIDE; PURINE DERIVATIVE; SOLVENT; WATER;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL REACTION; DIMERIZATION; DISSOCIATION CONSTANT; PRECURSOR; PURINE SYNTHESIS; REACTION ANALYSIS; THERMODYNAMICS;

EID: 0034710231     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00356-5     Document Type: Article

References (27)

1. Miller S.L., Orgel L.E. The Origin of Life in the Earth. 1974;Prentice-Hall, Englewood Cliffs, NJ.
2. Schwartz A.W. Naturwissenschaften. 70:1983;373.
3. Oro J. Biochem. Biophys. Res. Commun. 2:1960;407.
4. Oro J., Kimball A.P. Arch. Biochem. Biophys. 94:1961;217.
5. Oro J., Kimball A.P. Arch. Biochem. Biophys. 96:1962;293.
6. Ferris J.P., Orgel L.E. J. Am. Chem. Soc. 87:1965;4976.
7. Ferris J.P., Orgel L.E. J. Am. Chem. Soc. 88:1966;1074.
8. Ferris J.P., Orgel L.E. J. Am. Chem. Soc. 88:1966;3829.
9. Sanchez R.A., Ferris J.P., Orgel L.E. Science. 153:1966;72.
10. Sanchez R.A., Ferris J.P., Orgel L.E. J. Mol. Biol. 30:1967;223.
11. Ferris J.P., Kuder J.E. J. Am. Chem. Soc. 92:1970;2527.
12. Ferris J.P., Joshi P.C., Edelson E.H., Lawless J.G. J. Mol. Evol. 11:1978;293.
13. Voet A.B., Schwartz A.W. Bioorg. Chem. 12:1983;8.
14. Schwartz A.W., Bekker C.G. Science. 245:1989;1102.
15. Cramer C.J., Truhlar D.G. Structure and Reactivity in Aqueous Solution. 1994;ACS, Washington, DC.
16. Cramer C.J., Truhlar D.G. Chem. Rev. 99:1999;2161.
17. Kikuchi O., Matsuoka T., Sawahata H., Takahashi O. J. Mol. Struct. (Theochem). 305:1994;79.
18. Takahashi O., Sawahata H., Ogawa Y., Kikuchi O. J. Mol. Struct. (Theochem). 393:1997;141.
19. Kikuchi O., Watanabe T., Ogawa Y., Takase H., Takahashi O. J. Phys. Org. Chem. 10:1997;145.
20. Binkley J.S., Pople J.A., Hehre W.J. J. Am. Chem. Soc. 102:1980;939.
21. Hehre W.J., Ditchfield R., Pople J.A. J. Chem. Phys. 56:1972;2257.
22. Hehre W.J., Radom L., Schleyer P.v.R., Pople J.A. Ab Initio Molecular Orbital Theory. 1986;Wiley, New York.
23. Pearson R.G. J. Am. Chem. Soc. 108:1986;6109.
24. G. Klopman, P. Andreozzi, Theoret. Chim. Acta 55 (1980) 77.
25. Karelson M.M., Katritzky A.R., Zerner M.C. Int. J. Quant. Chem. Symp. 20:1986;521.
26. Chipot C., Gorb L.G., Rivail J.-L. J. Phys. Chem. 98:1994;1601.
27. Chemical Handbook Kagaku Binran. 2 :1975;Maruzen, Tokyo. p. II-1002.