THE SPECTRUM OF ALLENE NEAR $5\mu$m
Loading...
Date
1980
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
The infrared bands of allene (propadiene, $CH_{2}=C=CH_{2}$) occurring between 1920 and $2028 cm^{-1}$ were measured on a large grating spectrometer with effective resolution of $0.007 cm^{-1}$ after deconvolution. The main band in this region is the antisymmetric C=C stretching fundamental $\nu_{6}$ of symmetry $B_{2}$, accompanied on the high frequency side by the overtone band $2\nu_{9}$ of the degenerate $CH_{2}$-bending vibration. The overtone has three components of species $B_{2}, B_{1}$, and $A_{1}$, of which $B_{2}$ is in Fermi resonance with $\nu_{6}, B_{1}$ exhibits second-order Coriolis interaction with $\nu_{6}$, while $A_{1}$ is in l-type interaction with the $B_{1}$ and $B_{2}$ components. A fairly complex band structure results form these interactions. A general computer program was written for a simultaneous analysis of several symmetric top bands whose upper states are connected by arbitrary interactions. The central part of the program effects least squares refinement of the upper state constants and of the interaction constants. Application of the program to the $\nu_{6}, 2\nu_{9}$ bands of allene will be discussed.
Description
Author Institution: