Time-Domain Theoretical Analysis of the Noncoincidence Effect, Diagonal Frequency Shift, and the Extent of Delocalization of the CO Stretching Mode of Acetone/Dimethyl Sulfoxide Binary Liquid Mixtures

A time-domain method for simulating vibrational band profiles that simultaneously takes into account both the diagonal and off-diagonal effects is developed and applied to the CO stretching bands of neat liquid acetone and the acetone/dimethyl sulfoxide (DMSO) binary liquid mixtures. By using this...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2005-09, Vol.109 (34), p.7797-7804
Hauptverfasser:	Torii, Hajime, Musso, Maurizio, Giorgini, Maria Grazia
Format:	Artikel
Sprache:	eng
Schlagworte:	Acetone - chemistry Carbon - chemistry Dimethyl Sulfoxide - chemistry Molecular Structure Oxygen - chemistry
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!