Theoretical calculation of vibrational frequencies for halides of zinc and titanium groups

Chinese Journal of Inorganic Chemistry

Volumn 18, Issue 7, 2002, Pages 671-678

  Tao, Han Bing ^a   Zhang, Yu ^a   Zhang, Lin ^a   Sun, Xiao Juan ^a   Zhu, Long Gen ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

Theoretical calculation; Titanium group halides; Vibrational spectra; Zinc group halides

Indexed keywords

EID: 0347018226     PISSN: 10014861     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (52)

1. Elian M., Chen M. M. L., Mingos D. M. P., Hoffmann R. Inorg. Chem., 1976, 15, 1148.
2. Hoffmann R. Angew. Chem., 1982, 94, 725;
3. Angew. Chem. Int. Ed., 1982, 21, 711.
4. Andreas S., Schoeller W. W. J. Am. Chem. Soc., 2000, 122, 4729.
5. Martin C. H., Zerner M. C. Inorg. Electron. Struct. Spectrosc., 1999, 1, 555.
6. Nikolaus F., Cernot F. Phys. Organomet. Chem., 1999, 2, 173.
7. Gernot F., Ulrich P. J. Chem. Soc., Dalton Trans., 1997, 10, 1653.
8. Szilagyi R. K., Frenking G. Organometallics, 1997, 16, 4807.
9. Stephane B. L., Ny L., Pierre J., Alain D. Chem. Eur. J., 1999, 5, 57.
10. Martin S. H., Bloechl P. E., Antonio T. J. Am. Chem. Soc., 2000, 122, 4098.
11. Bauschilcher C. W. J. Phys. Chem. A, 1999, 103, 5463.
12. Ivo C., Alessandro F. J. Chem. Phys., 1998, 109, 8583.
13. Keiko T., Hiroko T., Hiroshi N., Misako K., Tsuneo H. Organometallics, 2000, 19, 3323.
14. Kolczewski Ch., Fink K., Staemmler V. Int. J. Quantum Chem., 2000, 76, 137.
15. Osguthorpe D. J. Current Opinion in Structural Biology, 2000, 10(2), 146.
16. Kobayashi Y., Sasabe H., Sait N. Fluid Phase Equilibria, 1998, 144(1-2), 403.
17. Tsuda K., Kaneko H., Shimada J., Takada T. Computer Physics Communications, 2001, 142(1-3), 140.
18. Dimitrova Y. Journal of Molecular Structure, Theochem, 2000, 499(1-3), 207.
19. Vladimiroff T. Journal of Molecular Structure, Theochem, 1999, 492(1-3), 123.
20. Dimitrova Y. Journal of Molecular Structure, Theochem, 2001, 548(1-3), 113.
21. Guirgis G. A., Bell S., Durig J. R. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2001, 57(6), 1235.
22. Norio M., Kaoru Y., Masaaki S., Harutoshi T., Chi M., Yoshiaki H., Masamichi T., Kozo K. J. Mol. Struct., 1989, 194, 301.
23. Durig J. R., Lee M. S., Harlan R. J., Little T. S. Theochem, 1989, 59, 41.
24. Smeyers Y. G., Senent M. L., Botella V., Moule D. C. J. Chem. Phys., 1993, 98, 2754.
25. Tassaing T., Besnard M., Yarwood J. Chem. Phys., 1998, 226, 71.
26. Joseph J. E., Krishnan R., Lisa M. S., Yves J. C., Brain E. B., George W. F., Stan B. C., Ed C. E., Gwyn P. W., Klaus R., Siegfried M. J. Chem. Phys., 1997, 106, 9889.
27. Huang W., Li C., Wang J., Zhu L. Spectrosc. Lett., 1998, 31, 1793.
28. Volker J., Walter T. J. Chem. Phys., 1995, 102(21), 8474;
29. J. Chem. Phys., 1996, 105(9), 3636;
30. Organometallics, 1998, 17, 353.
31. Zhou M., Andrews L. J. Chem. Phys., 1999, 111, 4548;
32. J. Phys. Chem. A, 1999, 103, 6956.
33. Andrews L., Zhou M., Chertihin G. V. J. Phys. Chem. A, 1999, 103, 6525.
34. Citra A., Andrews L. J. Phys. Chem. A, 1999, 103, 3410.
35. Hay P. J., Martin R. L. J. Chem. Phys., 1998, 109(10), 3875.
36. Zhang L., Wei H., Zhang Y., Guo Z., Zhu L. Spectrochim. Acta A, 2002, 58, 217.
37. Gaussian 98, Revision A. 6, 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., Mennuccì 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., Stefanov B. B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R. L., Fox, Keith D. J. 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, Inc., Pittsburgh PA, 1998.
38. Anderson B. F., Bell J. D., Gainsford A. R., House D. A. Inorg. Chim. Acta, 1978, 30, 5.
39. Corfield P. W. R., Baltusis L. M., Lippard S. J. Inorg. Chem., 1981, 20, 922.
40. Bart J. C. J., Bassi I. W., Calcaterra M. Inorg. Chim. Acta, 1982, 57, 261.
41. Douglas J. C., Robert C. H., Jon Z. Inorg. Chim. Acta, 1999, 292, 41.
42. Robin D. R., Andrew H. B., Salvador A., Alain R. Inorg. Chim. Acta, 1993, 212, 225.
43. Menabue L., Pellacant G. C. J. Chem, Soc. Dalton Trans., 1979, 1987.
44. Pabst K. M., Fuess H., Bats J. W. Z. Kristallogr., 1986, 174, 167.
45. Avery J. S., Burbridge C. D., Goodgame D. M. L. Spectrochim. Acta, 24 A, 1968, 1721.
46. Goggin P. L., Goodfelloe R. J., Kessler K. J. Chem. Soc. Dalton Trans., 1977, 1914.
47. Janz G. J., James D. W. J. Chem. Phy., 1963, 38, 905.
48. Long D. A., Chau J. Y. H. Trans. Faraday Soc., 1962, 58, 2325.
49. Alexander L. E., Beattie I. R. J. Chem. Soc. Dalton Trans., 1972, 1745.
50. Clark R. J. H., Hunter B. K., Rippon D. M. Inorg. Chem., 1972, 11, 56;
51. Clark R. J. H., Rippon D. M. J. Mol. Spectrosc., 1972, 44, 479.
52. Büchler A., Berkowitz-Matluck J. B., Dugre D. H. J. Chem. Phys., 1961, 34, 2202.