Vibrational analysis of the H4I2O10 2- ion in CuH4I2O10-6H2O

Journal of Raman Spectroscopy

Volumn 39, Issue 5, 2008, Pages 599-606

  Jaquet, R ^a   Haeuseler, H ^a  

^a UNIVERSITY OF SIEGEN   (Germany)

Author keywords

Density functional theory; IR spectrum; Normal coordinate analysis; Periodate; Raman spectrum

Indexed keywords

COPPER COMPOUNDS; IONS; RAMAN SCATTERING; STRETCHING; VIBRATION ANALYSIS;

DENSITY-FUNCTIONAL-THEORY; DFT METHOD; INTERNAL VIBRATION; IR SPECTRUM; NORMAL COORDINATE ANALYSIS; RAMAN LINES; STRETCHING VIBRATIONS; VIBRATIONAL ANALYSIS; VIBRATIONAL WAVENUMBERS; WAVE NUMBERS;

DENSITY FUNCTIONAL THEORY;

EID: 51549087454     PISSN: 03770486     EISSN: 10974555     Source Type: Journal    
DOI: 10.1002/jrs.1889     Document Type: Article

References (15)

1. Jansen M, Müller R. Z. Anorg. Allg. Chem. 1996; 622: 1901.
2. Nagel R, Botova M, Pracht G, Suchanek E, Maneva M, Lutz HD. Z. Naturforsch. 1999; 54b: 999.
3. Haeuseler H, Botova M. Z. Naturforsch. 2002; 57b: 1337.
4. Botova M, Nagel R, Haeuseler H. Z. Anorg. Allg. Chem. 2004; 630: 179.
5. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Cliffords, Ochtereki J, Petersson GA, Ayala P, Cui Q, Morokuma K, Rega N, Salvador P, Dannenberg JJ, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA. Gaussian 98. Gaussian: Pittsburgh, 2002.
6. Ahlrichs R, Bär M, Häser M, Horn H, Kölmel C. Chem. Phys. Lett. 1989; 162: 165.
7. Neugebauer J, Reiher M, Kind C, Hess BA. J. Comput. Chem. 2002; 23: 895.
8. Becke AD. J. Chem. Phys. 1993; 98: 5648.
9. Vosko SH, Wilk L, Nusair M. Can. J. Phys. 1980; 58: 1200.
10. Lee C, Yang W, Parr RG. Phys. Rev. B 1988; 37: 785.
11. Perdew JP. Phys. Rev. B 1986; 33: 8822.
12. Becke AD. Phys. Rev. A 1988; 38: 3098.
13. Foresman JB, Frisch AE. Exploring Chemistry with Electronic Structure Methods. Gaussian: Pittsburgh, 1996.
14. Siebert H, Wieghardt G. Spectrochim. Acta 1971; 27A: 1677.
15. Siebert H, Wieghardt G. Z. Naturforsch. 1972; 27b: 1299.