Experimental (IR, Raman) and computational analysis of a series of PtBr2 derivatives: Vibrational coupling in the coordinated ethylene and Pt-Br modes

Journal of Physical Chemistry A

Volumn 113, Issue 22, 2009, Pages 6348-6355

  Dub, Pavel A ^a,b   Filippov, Oleg A ^b   Belkova, Natalia V ^b   Rodriguez Zubiri, Mireia ^a   Poli, Rinaldo ^a,c  

^a UNIVERSITÉ DE TOULOUSE   (France)

^b A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

^c INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANALOGOUS COMPLEXES; BAND ASSIGNMENT; COMPUTATIONAL ANALYSIS; DFT CALCULATION; GEOMETRY OPTIMIZATION; IR AND RAMAN SPECTROSCOPY; NORMAL MODE ANALYSIS; NORMAL MODES; POTENTIAL ENERGY DISTRIBUTION; STRETCHING VIBRATIONS; VIBRATIONAL ANALYSIS; VIBRATIONAL COUPLINGS;

COORDINATION REACTIONS; ETHYLENE; FREQUENCY BANDS; PLATINUM; PLATINUM COMPOUNDS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS; STRETCHING; SULFUR COMPOUNDS;

CHLORINE COMPOUNDS;

EID: 66249121408     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp902394j     Document Type: Article

References (60)

1. Nakamoto, K. Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part B, 5th Ed.; John Wiley & Sons Inc.: New York, 1997.
2. Bonner, L. G. J. Am. Chem. Soc. 1936, 58, 34-39.
3. Herzberg, G. Molecular Spectra and Molecular Structure; Van Nostrand: Princeton, 1945; Vol. 2.
4. Bellamy, L. J. The Infrared Spectra of Complex Molecules, 3rd Ed.; Chapman and Hall: New York, 1975; Vol. 1.
5. Socrates, G. Infrared Characteristic GroupFrequencies, John Wiley & Sons: New York, 1980.
6. NIST Chemistry Webbook, http://vpl.astro.washington.edu/spectra/ c2h4.htm.
7. Knippers, W.; Vanhelvoort, K.; Stolte, S.; Reuss, J. Chem. Phys. 1985, 98, 1-6.
8. Piancastelli, M. N.; Kelly, M. K.; Kilday, D. G.; Margaritondo, G.; Frankel, D. J.; Lapeyre, G. J. Phys. Rev. B: Condens. Matter Mater. Phys. 1987, 35, 1461-1464.
9. Georges, R.; Bach, M.; Herman, M. Mol. Phys. 1999, 97, 279-292.
10. Ahern, A. M.; Garrell, R. L.; Jordan, K. D. J. Phys. Chem. 1988, 92, 6228-6232.
11. 2) (e.g., C=C bond stretching and HCH angles narrowing in the higher-frequency mode, and vice versa).
12. Jobic, H. J. Mol. Struct. 1985, 131, 167-175.
13. Burgina, E. B.; Yurchenko, E. N. J. Mol. Struct. 1984, 116, 17-27.
14. Manceron, L.; Andrews, L. J. Phys. Chem. 1989, 93, 2964-2970.
15. Love, R. A.; Koetzle, T. F.; Williams, G. J. B.; Andrews, L. C.; Bau, R. Inorg. Chem. 1975, 14, 2653-2657.
16. Chatt, J.; Duncanson, L. A. J. Chem. Soc. 1953, 2939-2947.
17. Chatt, J.; Duncanson, L. A.; Guy, R. G. Nature 1959, 184, 526-527.
18. Bokii, G. B.; Kukina, G. A. Kristallografiya 1957, 2, 400-407.
19. Jonassen, H. B.; Field, J. E. J. Am. Chem. Soc. 1957, 79, 1275-1276.
20. Powell, D. B.; Sheppard, N. Spectrochim. Acta 1958, 13, 69-74.
21. Adams, D. M.; Chatt, J. Chem. Ind. 1960, 149.
22. Babushkin, A. A.; Gribov, L. A.; Gel'man, A. D. Dokl. Akad. Nauk SSSR 1958, 123, 461-463.
23. Sverdlov, L. M.; Krainov, E. P. Opt. Spektrosk. 1957, 3, 54-60.
24. Kohlrausch, K. W. F.; Reitz, A. W. Proc. - Indian Acad. Sci., Sect. A 1938, 8A, 255-266.
25. Grogan, M. J.; Nakamoto, K. J. Am. Chem. Soc. 1966, 88, 5454-5460.
26. Pradilla-Sorzano, J.; Fackler, J. P., Jr. J. Mol. Spectrosc. 1967, 22, 80-98.
27. Hiraishi, J. Spectrochim. Acta, Part A 1969, 25, 749-760.
28. Hartley, F. R. Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds. Pergamon Press: Elmsford, NY, 1982; Vol. 6, pp 471-762, and references therein.
29. Powell, D. B.; Scott, J. G. V.; Sheppard, N. Spectrochim. Acta, Part A 1972, 28, 327-335.
30. Crayston, J. A.; Davidson, G. Spectrochim. Acta, Part A 1987, 43A, 559-564.
31. Mink, J.; Papai, I.; Gal, M.; Goggin, P. L. Pure Appl. Chem. 1989, 61, 973-978.
32. Celio, H.; Trenary, M.; Robota, H. J. J. Phys. Chem. 1995, 99, 6024-6028.
33. Maslowsky, E., Jr. Vibrational Spectra of Organometallic Compounds; Wiley: New York, 1977.
34. Mrozek, M. F.; Weaver, M. J. J. Phys. Chem. B 2001, 105, 8931-8937.
35. See ref 16 in ref 34.
36. Baldwin, J. A.; Gilson, D. F. R.; Butler, I. S. J. Organomet. Chem. 2005, 690, 3165-3168.
37. Fornies, J.; Martin, A.; Martin, L. F.; Menjon, B.; Tsipis, A. Organometallics 2005, 24, 3539-3546.
38. Bencze, E.; Papai, I.; Mink, J.; Goggin, P. L. J. Organomet. Chem. 1999, 584, 118-121.
39. Brunet, J. J.; Cadena, M.; Chu, N. C.; Diallo, O.; Jacob, K.; Mothes, E. Organometallics 2004, 23, 1264-1268.
40. Brunet, J. J.; Chu, N. C.; Diallo, O. Organometallics 2005, 24, 3104-3110.
41. Rodriguez-Zubiri, M.; Anguille, S.; Brunet, J.-J. J. Mol. Catal. A 2007, 271, 145-150.
42. Brunet, J.-J.; Chu, N.-C.; Rodriguez-Zubiri, M. Eur. J. Inorg. Chem. 2007, 471, 1-4722.
43. Dub, P. A. Rodriguez-Zubiri, M. Daran, J.-C. Brunet, J.-J.; Poli, R., submitted.
44. Frisch, M. J.; Schlegel, G. W. T. H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J.; Vreven, J. A. T.; Kudin, N.; Burant, J. C.; Millam, J. M; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M. ; Scalmani, G.; Rega, N.; Petersson, G. A; Nakatsuji, H.; Hada, M.; Ehara, E.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M. X.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, J. W.;Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.;Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain,M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.;Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.;Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.;Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Rev. C.02; Gaussian, Inc.: Wallingford, CT, 2004.
45. Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652.
46. Lee, C. T.; Yang, W. T.; Parr, R. G. Phys. Rev.B1988, 37, 785-789.
47. Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200-206.
48. Roy, L. E.; Hay, P. J.; Martin, R. L. J. Chem. Theory Comput. 2008, 4, 1029-1031.
49. Zhurko, G. A. ChemCraft, Version 1.5 (Build 245); http:// www.chemcraftprog.com/, 2007.
50. Yagola, A. G.; Kochikov, I. V.; Kuramshina, G. M.; Pentin, Y. A. In Verse Problems of Vibrational Spectroscopy; VSP: Utrecht, 1999.
51. Foulds, G. A.; Hall, P. S.; Thornton, D. A. J. Mol. Struct. 1984, 117, 95-101.
52. Legrand, N.; Bondon, A.; Simonneaux, G.; Jung, C.; Gill, E. FEBS Lett. 1995, 364, 152-156.
53. Potter, W. T.; Hazzard, J. H.; Choc, M. G.; Tucker, M. P.; Caughey, W. S. Biochemistry 1990, 29, 6283-6295.
54. See ref 1, Part AP 204-208.
55. Degen, I. A.; Rowlands, A. J. Spectrochim. Acta, Part A 1991, 47, 1263-1268.
56. Goggin, P. L.; Mink, J. J. Chem. Soc., Dalton Trans. 1974, 1479-1483.
57. Adams, D. M.; Hills, D. J. J. Chem. Soc., Dalton Trans. 1977, 947-948.
58. Foulds, G. A.; Hall, P. S.; Thornton, D. A.; Watkins, G. M. Spectrochim. Acta, Part A 1992, 48, 597-604.
59. Heyde, T.; Foulds, G. A.; Thornton, D. A.; Desseyn, H. O.; Vanderveken, B. J. J. Mol. Struct. 1983, 98, 11-18.
60. Auf der Heyde, T. P. E.; Foulds, G. A.; Thornton, D. A.; Watkins, G. M. J. Mol. Struct. 1981, 77, 19-24.