Theorie der Intensitäten der Schwingungsspektren von Kettenmolekeln. 1. Allgemeine Theorie der Berechnung von Intensitäten der Infrarotspektren von grossen Molekeln

Publisher Website
Google Scholar
Abstract
A new method for the calculation of the intensities of infrared absorption bands is given. This method is based on the assumption of a quadratic potential function and the use of Wilson's F‐ and G‐matrices. The Sayvetz conditions are satisfied from the outset by using appropriate internal symmetry coordinates. It avoids the explicite application of the characteristic vectors of F with respect to G−1 and requires only the calculation of the reciprocals of these matrices. As a partial result a complete set of rules for the intensities of isotopic molecules are obtained. Two of these rules were already known. Furthermore a number of special cases are discussed, whereby some approximate rules for the intensities of group vibration are obtained.

This publication has 3 references indexed in Scilit: