The structures of some dimers of carbon monoxide-an infrared matrix isolation spectroscopic and ab initio molecular orbital study

Journal of Molecular Structure

Volumn 786, Issue 2-3 SPEC. ISS., 2006, Pages 168-174

  Nxumalo, L M ^a   Ngidi, E K ^b   Ford, T A ^b  

^a UNIVERSITY OF JOHANNESBURG   (South Africa)

^b UNIVERSITY OF KWAZULU NATAL   (South Africa)

Author keywords

Ab initio; Carbon monoxide; Matrix isolation; Molecular complexes

Indexed keywords

CARBON MONOXIDE; CRYOGENICS; FOURIER TRANSFORMS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NITROGEN;

AB INITIO; MATRIX ISOLATION; MOLECULAR COMPLEXES; NITROGEN MATRICES;

DIMERS;

EID: 33646112646     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.09.044     Document Type: Article

References (46)

1. Vanden Bout P.A., Steed J.M., Bernstein L.S., and Klemperer W. Astrophys. J. 234 (1979) 503
2. Havenith M., Petri M., Lubina C., Hilpert G., and Urban W. J. Mol. Spectrosc. 167 (1994) 248
3. Brookes M.D., and McKellar A.R.W. Chem. Phys. Lett. 287 (1998) 365
4. Roth D.A., Hepp M., Pak I., and Winnewisser G. Chem. Phys. Lett. 298 (1998) 381
5. Xu Y., and Jäger W. J. Chem. Phys. 111 (1999) 5754
6. Brookes M.D., and McKellar A.R.W. J. Chem. Phys. 111 (1999) 7321
7. Roth D.A., Surin L.A., Dumesh B.S., Winnewisser G., and Pak I. J. Chem. Phys. 113 (2000) 3034
8. Walker K.A., Xia C., and McKellar A.R.W. J. Chem. Phys. 113 (2000) 6618
9. McKellar A.R.W. J. Chem. Phys. 115 (2001) 3571
10. Tang J., McKellar A.R.W., Surin L.A., Fourzikov D.N., Dumesh B.S., and Winnewisser G. J. Mol. Spectrosc. 214 (2002) 87
11. Surin L.A., Fourzikov D.N., Lewen F., Dumesh B.S., Winnewisser G., and McKellar A.R.W. J. Mol. Spectrosc. 222 (2003) 93
12. Surin L.A., Fourzikov D.N., Dumesh B.S., Winnewisser G., Tang J., and McKellar A.R.W. J. Mol. Spectrosc. 223 (2004) 132
13. Ewing G.E. J. Chem. Phys. 37 (1962) 2250
14. Vu H., Atwood M.R., and Vodar B. J. Chem. Phys. 38 (1963) 2671
15. Maki A.G. J. Chem. Phys. 35 (1961) 931
16. Leroi G.E., Ewing G.E., and Pimentel G.C. J. Chem. Phys. 40 (1964) 2298
17. Charles S.W., and Lee K.O. Trans. Faraday Soc. 61 (1965) 614
18. Davies J.B., and Hallam H.E. J. Chem. Soc., Faraday Trans. II 68 (1972) 509
19. Jiang G.J., Person W.B., and Brown K.G. J. Chem. Phys. 62 (1975) 1201
20. Han H.S., and Kim K. J. Mol. Struct. (Theochem) 418 (1997) 1
21. Abe H., Takeo H., and Yamada K.M.T. Chem. Phys. Lett. 311 (1999) 153
22. Ewing G.E., and Pimentel G.C. J. Chem. Phys. 35 (1961) 925
23. Elsila J., Allamandola L.J., and Sandford S.A. Astrophys. J. 479 (1997) 818
24. Van Der Pol A., Van Der Avoird A., and Wormer P.E.S. J. Chem. Phys. 92 (1990) 7498
25. Bunker P.R., Jensen P., Althorpe S.C., and Clary D.C. J. Mol. Spectrosc. 157 (1993) 208
26. Meredith A.W., and Stone A.J. J. Phys. Chem. A 102 (1998) 434
27. Rode M., Sadlej J., Moszynski R., Wormer P.E.S., and Van Der Avoird A. Chem. Phys. Lett. 314 (1999) 326
28. Sabzyan H., and Noorbala M.R. J. Mol. Struct. (Theochem) 626 (2003) 143
29. Winn J.S. Physical Chemistry (1995), Harper Collins College Publishers, New York pp. 563- 573
30. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery J.A.jr., 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 I., 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., Head-Gordon M., Replogle E.S., Pople J.A., gaussian-98, Rev. A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
31. Møller C., and Plesset M.S. Phys. Rev. 46 (1934) 618
32. Clark T., Chandrasekhar J., Spitznagel G.W., and Schleyer P.v.R. J. Comput. Chem. 4 (1983) 294
33. Krishnan R., Binkley J.S., Seeger R., and Pople J.A. J. Chem. Phys. 72 (1980) 650
34. Schlegel H.B. J. Comput. Chem. 3 (1982) 214
35. Murtagh B.A., and Sargent R.W.H. Comput. J. 13 (1970) 185
36. Liu B., and McLean A.D. J. Chem. Phys. 59 (1973) 4557
37. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553
38. Govender M.G., Govender T., Rostance J.H., Rootman S.M., Ford T.A., and Afr S. J. Chem. 58 (2005) 16
39. Venayagamoorthy M., and Ford T.A. J. Mol. Struct. (Theochem) 717 (2005) 111
40. Ford T.A. Spectrochim. Acta, Part A 61 (2005) 1403
41. Altmann J.A., Govender M.G., and Ford T.A. Mol. Phys. 103 (2005) 949
42. Millar L.J., and Ford T.A. J. Mol. Struct. 744-747 (2005) 195
43. Nxumalo L.M., and Ford T.A. J. Mol. Struct. 656 (2003) 303
44. Nxumalo L.M., and Ford T.A. J. Mol. Struct. 661-662 (2003) 153
45. Govender M.G., and Ford T.A. J. Mol. Struct. 550-551 (2000) 445
46. Ford T.A. Can. J. Anal. Sci. Spectrosc. 43 (1998) 113