Nature of interactions in open-shell complexes pairing H2X with HXX, X=S,O

Molecular Physics

Volumn 107, Issue 8-12, 2009, Pages 713-719

  Solimannejad, Mohammad ^a,b   Scheiner, Steve ^c  

^a ARAK UNIVERSITY   (Iran)

^b UNIVERSITY OF OSLO   (Norway)

^c UTAH STATE UNIVERSITY   (United States)

Author keywords

Binding energy; Cyclic structure; Hydrogen bond; Radical; Vibrational frequencies

Indexed keywords

CYCLIC STRUCTURE; ELECTRONIC DATA; H-BONDS; OPEN-SHELL; PROTON ACCEPTORS; PROTON DONORS; QUANTUM CALCULATION; RADICAL; VIBRATIONAL FREQUENCIES;

BINDING SITES; COMPLEXATION; HYDROGEN; HYDROGEN BONDS; NUCLEAR ENERGY; POTENTIAL ENERGY; PROTONS; STEEL POWDER METALLURGY;

BINDING ENERGY;

EID: 68249144526     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802397944     Document Type: Article

References (38)

1. J. Farquhar, H. Bao, and M. Thiemens, Science 289, 756 (2000).
2. K.S. Habicht, M. Gade, B. Thamdrup, et al., Science 298, 2372 (2002).
3. C. Visscher, K. Lodders and B. Jr Fegley, et al., 648, 1181 (2006).
4. J. Farquhar, J. Savarino, T.L. Jackson, et al., Nature 404, 50 (2000).
5. B. Bezard, Icarus 55, 259 (1983).
6. G. Porter, Discuss. Faraday Soc. 9, 60 (1950).
7. O.P. Strausz, R.J. Donovan, and M. De Sorgo, Ber. Bunsen. Phys. Chem. 72, 253 (1968).
8. R.K. Gosavi, M. DeSorgo, H.E. Gunning, et al., Chem. Phys. Lett. 21, 318 (1973).
9. K.J. Holstein, E.H. Fink, J. Wildt, et al., Chem. Phys. Lett. 113, 1 (1985).
10. S. Yamamoto and S. Saito, Can. J. Phys. 72, 954 (1994).
11. S.H. Ashworth, K.M. Evenson, and J.M. Brown, J. Mol. Spectrosc. 172, 282 (1995).
12. M. Tanimoto, T. Klaus, H.S.P. Müller, et al., J. Mol. Spectrosc. 199, 73 (2000).
13. S.H. Ashworth and E.H. Fink, Mol. Phys. 105, 715 (2007).
14. E. Isoniemi, L. Khriachtchev, M. Pettersson, et al., Chem. Phys. Lett. 311, 47 (1999).
15. S.Moran and G.B. Ellison, J. Phys. Chem. 92, 1794 (1988).
16. A.B. Sannigrahi, S.D. Peyerimhoff, and R.J. Buenker, Chem. Phys. Lett. 46, 415 (1977).
17. A.B. Sannigrahi, J. Mol. Struct. 44, 223 (1978).
18. Q. Zhuo, D.J. Clouthier, and J.D. Goddard, J. Chem. Phys. 100, 2924 (1994).
19. P.A. Denis, Chem. Phys. Lett. 422, 434 (2006).
20. B. Edhay, S. Lahmar, B. Lakhdar, et al., Mol. Phys. 105, 411 (2007).
21. K.A. Peterson, A. Mitrushchenkov, and J.S. Francisco, Chem. Phys. 346, 34 (2008).
22. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J., J. A.; Stratmann, 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.; Mennucci, 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.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, L; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 03, Revision B02 (Gaussian, Inc., Pittsburgh, PA, 2003).
23. M. Gutowski, F.B. van Duijneveldt, G. Chalasinski, et al., Chem. Phys. Lett. 129, 325 (1986).
24. Z. Latajka and S. Scheiner, J. Chem. Phys. 87, 1194 (1987).
25. S.F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
26. P. Hobza, V. Spirko, Z. Havlas, et al., Chem. Phys. Lett. 299, 180 (1999).
27. H. Matsuura, H. Yoshida, M. Hieda, et al., J. Am. Chem. Soc. 125, 13910 (2003).
28. E.S. Kryachko and S. Scheiner, J. Phys. Chem. A 112, 1940 (2008).
29. S. Scheiner, J. Phys. Chem. B 109, 16132 (2005).
30. T. Kar and S. Scheiner, J. Phys. Chem. A 108, 9161 (2004).
31. S. Aloisio and J.S. Francisco, J. Phys. Chem. A 102, 1899 (1998).
32. S. Aloisio, J.S. Francisco, and R.R. Friedl, J. Phys. Chem. A 104, 6597 (2000).
33. M. Solimannejad and S. Scheiner, Chem. Phys. Lett. 429, 38 (2006).
34. M. Solimannejad, S.G. Shirazi, and S. Scheiner, J. Phys. Chem. A 111, 10717 (2007).
35. S. Scheiner, Hydrogen Bonding. A Theoretical Perspective (Oxford University Press, New York, 1997).
36. Z. Latajka and S. Scheiner, J. Phys. Chem. 96, 9764 (1992).
37. S. Scheiner, J. Phys. Chem. B 111, 11312 (2007).
38. S. Scheiner, J. Phys. Chem. B 110, 18670 (2006).