Molecular structure and infrared spectra of guanidinium cation. A combined theoretical and spectroscopic study

Materials Science and Engineering: B

Volumn 136, Issue 1, 2007, Pages 20-28

  Drozd, M ^a  

^a INSTITUTE OF LOW TEMPERATURE AND STRUCTURE RESEARCH   (Poland)

Author keywords

DFT; Guanidinium cation; Hydrogen bonds; Vibrational spectra

Indexed keywords

DISCRETE FOURIER TRANSFORMS; HARMONIC ANALYSIS; HYDROGEN BONDS; INFRARED RADIATION; MOLECULAR STRUCTURE; NONLINEAR OPTICS; SPECTROSCOPIC ANALYSIS;

GUANIDINIUM CATIONS; HARMONIC FREQUENCIES; MOLECULAR COMPLEXES; POTENTIAL ENERGY DISTRIBUTION (PED); VIBRATIONAL SPECTRA;

POSITIVE IONS;

EID: 33845447890     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mseb.2006.08.063     Document Type: Article

References (26)

1. Sponer J., Hobza H., and Leszczynski J. In: Leszczynski J. (Ed). Computational Molecular Biology, Theoretical and Computational Chemistry Book Series vol. 8 (1999), Elsevier, Amsterdam 85
2. Sponer J., Hobza P., and Leszczynski J. Computational Chemistry: Reviews of Current Trends 5 (2000), World Scientific, Singapore p. 171
3. Baran J., Drozd M., Głowiak T., Śledź M., and Ratajczak H. J. Mol. Struct. 372 (1995) 131
4. Baran J., Drozd M., Lis T., and Ratajczak H. J. Mol. Struct. 372 (1995) 151
5. Novak A. Struct. Bond. 18 (1974) 177
6. Nakamoto K. Infrared and Raman Spectra of Inorganic and Coordination Compounds (1986), Wiley, New York
7. Becke A.D. J. Chem. Phys. 98 (1993) 5648
8. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
9. Wojciechowski P., Zierkiewicz W., and Michalska D. J. Chem. Phys. 118 (2003) 24
10. Fogarasi G., and Pulay P. In: During J.R. (Ed). Vibrational Spectra and Structure vol. 13 (1985), Elsevier, New York
11. Baker J., Jarzecki A.A., and Pulay P. J. Phys. Chem. A 102 8 (1998) 1412
12. Zierkiewicz W., Michalska D., and Zeegers-Huyskens T. J. Phys. Chem. A 104 50 (2000) 11685
13. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L., Dupuis M., and Montgomery J.A. J. Comput. Chem. 14 (1993) 1347-1363
14. Drozd M., Baran J., and Pietraszko A. Spectrochim. Acta A 61 (2005) 2809
15. Drozd M., Baran J., and Pietraszko A. Spectrochim. Acta A 61 (2005) 2775
16. Drozd M., Baran J., and Pietraszko A. Spetrochim. Acta A 61 (2005) 2953
17. Drozd M., and Baran J. Spectrochim. Acta A 64 (2006) 73
18. Drozd M., and Baran J. Spectrochim. Acta A 64 (2006) 867
19. Nakagana T., Ito F., Miyawaki J., Sugawara K., and Takeo H. Chem. Phys. Lett. 261 (1996) 414
20. Chakraborty D., and Manogaran S. J. Phys. Chem. A 101 (1997) 6964-6969
21. Piest H., von Helden G., and Meijer G. J. Chem. Phys. 110 (1999) 2010
22. Bludsky O., Sponer J., Leszczynski J., Špirko V., and Hobza P. J. Chem. Phys. 105 (1996) 11042
23. Kydd R.A., and Krueger P.J. Chem. Phys. Lett. 49 (1977) 539
24. Zhang X., Smith J.M., and Knee J.L. J. Chem. Phys. 97 (1992) 2843
25. Angell C.L., Sheppard N., Yamaguchi A., Shimanouchi T., Miyazawa T., and Mizushima S. Faraday Soc. 53 (1957) 589
26. Magalhaes A.L., and Gomes J.A.N.F. Int. J. Quantum Chem. 61 (1997) 725