Theoretical studies on vibrational spectra of some halides of Group IIB elements

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 3, 2004, Pages 679-688

  Zhao, Jianying ^a   Zhang, Yu ^a,b   Kan, Yuhe ^a   Zhu, Longgen ^b  

^a HUAIYIN NORMAL UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

Theoretical calculation; Vibrational frequencies; Zinc(II), cadmium(II) and mercury(II) halides

Indexed keywords

COMBUSTION; COMPUTATIONAL METHODS; DIMERS; HALIDE MINERALS; OPTIMIZATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; TRANSITION METALS;

BOND LENGTHS; MOLECULAR ORBITALS; VIBRATIONAL FREQUENCIES;

MOLECULAR VIBRATIONS;

CADMIUM DERIVATIVE; HALOGEN; MERCURY DERIVATIVE; ZINC DERIVATIVE;

ARTICLE; CHEMISTRY; DIMERIZATION; SPECTROSCOPY;

CADMIUM COMPOUNDS; DIMERIZATION; HALOGENS; MERCURY COMPOUNDS; SPECTRUM ANALYSIS; ZINC COMPOUNDS;

EID: 1642436889     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00278-6     Document Type: Article

References (46)

1. M. Dolg, in: P.R.V. Schleyer (Ed.), Encyclopedia of Computational Chemistry, Wiley, New York, 1998.
2. Andreas S., Wolfgang S.W. J. Am. Chem. Soc. 122:2000;4729.
3. Gagliardi L., Willetts A., Skylaris C.-K., Handy N.C., Spencer S., Ioannou A.G., Simper A.M. J. Am. Chem. Soc. 120:1998;1127.
4. Jiri S., Michal S., Jaroslav B.V., Jerz L., Pavel H., Bernhard L. J. Biol. Inorg. Chem. 4:1999;537.
5. Keiko T., Hiroko T., Hiroshi N., Misako K., Tsuneo H. Organometallics. 100:2000;787.
6. Beu T.A., Onoe J., Takeuchi K. J. Chem. Phys. 109:1998;8295.
7. Martin S.H., Peter B.E., Antonio T. J. Am. Chem. Soc. 122:2000;4098.
8. Ceulemans A., Chibotaru L.F., Heylen G.A., Pierloot K., Vanquickenbrone L.G. Chem. Rev. 100:2000;787.
9. Dolg M., Stoll H., Preuss H. J. Phys. Chem. 97:1993;5852.
10. Rousseau B., Alsenoy C.V. J. Phys. Chem. A. 104:2000;5946.
11. Rousseau B., Alsenoy C.V., Keuleers R., Desseyn H.O. J. Phys. Chem. A. 102:1998;6540.
12. Chakraboty D., Manogaran S. J. Phys. Chem. A. 101:1997;6964.
13. Michalska D., Bienko D.C., Abkowicz-Bieko A.J., Latajka Z. J. Phys. Chem. 100:1996;17786.
14. Masuda S., Torii H., Tasumi M. J. Phys. Chem. 100:1996;15335.
15. Rfancisco J.S. J. Phys. Chem. A. 102:1998;6702.
16. Yordanka D. Spectrochim. Acta (Part A). 55A:1999;999.
17. Goebel J.R., Ault B.S., Del B., Janet E. J. Phys. Chem. A. 105:2001;6430.
18. Castillo-Chara J., Lucchese R.R., Bevan J.W. J. Chem. Phys. 115:2001;899.
19. Wright T.G., Lee E.P.F. Chem. Phys. Lett. 340:2001;179.
20. Roth D., Dopfer O., Maier J.P. Phys. Chem. Chem. Phys. 2:2000;5013.
21. Lee J.Y., Kim J., Lee H.M., Tarakeshwar P., Kim K.S. J. Chem. Phys. 113:2000;6160.
22. Jonas V., Thiel W. J. Chem. Phys. 102:1995;8474.
23. Jonas V., Thiel W. J. Chem. Phys. 105:1996;3636.
24. Jonas V., Thiel W. Organometallics. 17:1998;353.
25. Zhou M., Andrews L. J. Am. Chem. Soc. 122:2000;1531.
26. Hu Z., Boyd R.J. J. Chem. Phys. 113:2000;9393.
27. Wang X., Zhou M., Andrews L. J. Phys. Chem. A. 104:2000;7964.
28. Zhou M., Andrews L. J. Chem. Phys. 111:1999;4548.
29. Schroeder D., Wesendrup R., Hertwig R.H., Dargel T.K., Grauel H., Koch W., Bender B.R., Schwarz H. Organometallics. 19:2000;2608.
30. Bencze E., Papai I., Mink J., Goggin P.L. J. Organomet. Chem. 584:1999;118.
31. Citra A., Andrews L. J. Phys. Chem. A. 105:2001;3042.
32. Li J., Wu K. Inorg. Chem. 39:2000;1538.
33. Hilbert K., Neumann U. Thermochim. Acta. 299:1997;49.
34. Yorio N.C., Mackowiak C.L., Sager C.J. Science. 30:1995;374.
35. Benavides-Garcia M., Balsubramanian K. J. Chem. Phys. 100:1994;2821.
36. De Vore T.C., Gole J.L. Chem. Phys. 241:1999;221.
37. Fortijn A. Pure Appl. Chem. 70:1998;469.
38. Hargittai M. Coord. Chem. Rev. 91:1988;35.
39. Hargittai M. Chem. Rev. 100:2000;2233.
40. Zhang L., Zhang Y., Tao H., Zhu L. J. Mol. Struct. 617:2002;87.
41. M.J. Frisch, et al., GAUSSIAN 98, Revision A.6, Gaussian Inc., Pittsburgh, PA.
42. Pyykko P. Chem. Rev. 88:1988;563.
43. Kaupp M., von Schnering H.G. Inorg. Chem. 33:1994;2555.
44. Al-Juaid S.S., Eaborn C., Habtemariam A., Hitchcock P.B. J. Organomet. Chem. 462:1993;45.
45. A.D. Bulanov, E.N. Verkoturove, A.V. Makarov, A.N. Pronchetov Vysokocnist Veskchestva (1991) 5.
46. Given A., Loewenschuss A. J. Chem. Phys. 64:1976;1967.