Normal coordinate treatment of 1-methyluracil in the crystal state: Use of the ultraviolet resonance Raman intensities to improve the vibrational force field

Autor:	A. Elass, P. Lagant, Manuel Dauchez, Warner L. Peticolas, Gérard Vergoten
Rok vydání:	1992
Předmět:	Force constant Infrared Chemistry General Engineering medicine.disease_cause Force field (chemistry) Crystal symbols.namesake Nuclear magnetic resonance Normal mode medicine symbols Atomic physics Valence force field Raman spectroscopy Ultraviolet
Zdroj:	Spectrochimica Acta Part A: Molecular Spectroscopy. 48:1323-1333
ISSN:	0584-8539
Popis:	A general valence force field for 1-methylthymine (1MeT) in the isolated state has been unequivocally determined from the calculation of both the frequencies and the relative ultraviolet resonance Raman intensities arising from the first lowest lying vibronic transitions. In a second step, the normal modes were derived for the crystalline state using the previously determined in-plane force field and an out-of-plane force field was deduced.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::96c2e91c6fdb23b410784e59f368bbba https://doi.org/10.1016/0584-8539(92)80138-m Zobrazit plný text záznamu