On the vibrational spectra and structural parameters of methyl, silyl, and germyl azide from theoretical predictions and experimental data

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 61, Issue 7, 2005, Pages 1287-1306

  Durig, Douglas T ^a   Durig, M S ^b   Durig, James R ^b  

^a UNIVERSITY OF THE SOUTH   (United States)

^b UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

Author keywords

Ab initio calculations; Infrared and Raman spectra; Methyl, silyl and germyl azide; r0 structural parameters

Indexed keywords

ELECTRON DIFFRACTION; INFRARED SPECTROSCOPY; MICROWAVES; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PERTURBATION TECHNIQUES; RAMAN SCATTERING;

AB INITIO CALCULATIONS; GERMYL AZIDES; INFRARED AND RAMAN SPECTRA; METHYL; RO STRUCTURAL PARAMETERS; SILYL;

NITROGEN COMPOUNDS;

AZIDE; FLUORIDE; LITHIUM DERIVATIVE; LITHIUM FLUORIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; MICROWAVE RADIATION; NORMAL DISTRIBUTION; PHYSICAL CHEMISTRY; RAMAN SPECTROMETRY; SPECTROPHOTOMETRY; STATISTICAL MODEL;

AZIDES; CHEMISTRY, PHYSICAL; FLUORIDES; LITHIUM COMPOUNDS; MICROWAVES; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR CONFORMATION; NORMAL DISTRIBUTION; SPECTROPHOTOMETRY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 16344368694     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2004.12.035     Document Type: Article

References (35)

1. Z. Wang J. Mol. Struct. (Theochem.) 434 1998 1
2. L. Kahovec, K.W.F. Kohlrausch, A.W. Reitz, and J. Wagner Z. Physik. Chem. Leipzig B 39 1938 431
3. E. Mantica, and G. Zerbi Gazz. Chim. Ital. 90 1960 53
4. D.E. Milligan J. Chem. Phys. 35 1961 1491
5. F.A. Miller, and D. Bassi Spectrochim. Acta 19 1963 565
6. R.L. Livingston, and C.N.R. Rao J. Phys. Chem. 64 1960 756
7. W.T. Thompson, and W.H. Fletcher Spectrochim. Acta 22 1966 1907
8. W.M. Salathiel, and R.F. Curl Jr. J. Chem. Phys. 44 1966 1288
9. B.J. van der Veken, W.A. Herrebout, D.T. Durig, W. Zhao, and J.R. Durig J. Phys. Chem. A 103 1999 1976
10. D.C. McKean J. Mol. Struct. 113 1984 251
11. J.R. Durig, K.W. Ng, C. Zheng, and S. Shen Struct. Chem. 15 2004 147
12. E.A.V. Ebsworth, D.R. Jenkins, M.J. Mays, and T.M. Sugden Proc. Chem. Soc. 1963 21
13. E.A.V. Ebsworth, and M.J. Mays J. Chem. Soc. 1964 3450
14. C. Glidewell, and A.G. Robiette Chem. Phys. Lett. 28 1974 290
15. J.R. Durig, J.F. Sullivan, and P.L. Trowell J. Mol. Struct. 72 1981 41
16. J.R. Durig, J.F. Sullivan, Y.S. Li, and A.B. Mohamad J. Mol. Struct. 79 1982 235
17. P. Groner, G.M. Attia, A.B. Mohamad, J.F. Sullivan, Y.S. Li, and J.R. Durig J. Chem. Phys. 91 1989 1434
18. J.D. Murdoch, and D.W.H. Rankin J. C. S. Chem. Commun. 1972 748
19. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, and J.A. Pople Gaussian'98, Revision B.3 1998 Gaussian Inc. Pittsburgh, PA
20. C. Møller, and M.S. Plesset Phys. Rev. 46 1934 618
21. G.A. Guirgis, X. Zhu, Z. Yu, and J.R. Durig J. Phys. Chem. A 104 2000 4383
22. M.J. Frisch, Y. Yamaguchi, J.F. Gaw, H.F. Schaefer III, and J.S. Binkly J. Chem. Phys. 84 1986 531
23. R.D. Amos Chem. Phys. Lett. 124 1986 376
24. P.L. Polavarapu J. Phys. Chem. 94 1990 8106
25. G.W. Chantry A. Anderson The Raman Effect vol. 1 1971 Marcel Dekker Inc New York, NY Chapter 2
26. H.M. Badawi J. Mol. Struct. (Theochem.) 583 2002 89
27. J.R. Durig, T.K. Gounev, C. Zheng, A. Choulakian, and V.N. Verma J. Phys. Chem. 106 2002 3395
28. G.A. Guirgis, S. Bell, C. Zheng, and J.R. Durig Phys. Chem. Chem. Phys. 4 2002 1438
29. J.R. Durig, C. Zheng, W. Herrebout, and B.J. van der Veken J. Mol. Struct. 641 2002 207
30. W.A. Herrebout, C. Zheng, B.J. van der Veken, and J.R. Durig J. Mol. Struct. 645 2003 109
31. D.W.W. Anderson, D.W.H. Rankin, and A. Robertson J. Mol. Struct. 14 1972 385
32. G.A. Guirgis, C. Zheng, T.K. Gounev, and J.R. Durig J. Mol. Struct. 651-653 2003 771
33. J.R. Durig, C. Pan, and G.A. Guirgis J. Mol. Struct. 688 2004 95
34. J.R. Durig, C. Pan, and G.A. Guirgis Spectrochim. Acta A 59 2003 979
35. S. Shen, and J.R. Durig J. Mol. Struct. 661/662 2003 49