THE ASSIGNMENT OF LATTICE-VIBRATIONS IN TRIGLYCINE SULFATE-TYPE CRYSTALS

Authors
MALYAREVICH AM POSLEDOVICH MR
Citation
Am. Malyarevich et Mr. Posledovich, THE ASSIGNMENT OF LATTICE-VIBRATIONS IN TRIGLYCINE SULFATE-TYPE CRYSTALS, Journal of molecular structure, 375(1-2), 1996, pp. 43-51
Citations number
15
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure → ACNP
ISSN journal
00222860
Volume
375
Issue
1-2
Year of publication
1996
Pages
43 - 51
Database
ISI
SICI code
0022-2860(1996)375:1-2<43:TAOLIT>2.0.ZU;2-V
Abstract
Theoretical calculation of the frequencies and the normal coordinates of the external vibrations have been made for the triglycine sulfate c rystal by the semiempirical quantum-chemical parametric method PM3. Th ese results showed good agreement with the observed Raman and IR absor ption spectra in both the frequency and the polarization of the bands. On this basis, the assignment of the external vibration bands to the motion of definite molecular groups was made.