HIGH RESOLUTION FTIR SPECTROSCOPY OF THE $\nu_{4}$ BANDS OF $C_{6}H_{6}$ AND $C_{6}D_{6}$
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Date
1999
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Ohio State University
Abstract
We have re-examined the $\nu_{4}$ bands (Herzberg numbering) of $C_{6}H_{6}$ and $C_{6}D_{6}$ using high resolution $(0.0015 cm^{-1})$ Fourier transform infrared spectroscopy. The spectra were taken with the benzene samples in a temperature stabilized cell $(4^{\circ}C)$, 20 cm in length. The $-h6$ sample spectrum $(99.95 atom \% {^{12}}C_{6})$ was recorded with an MCT detector and KBr beamsplitter and the $-d6$ sample spectrum was recorded with a silicon bolometer detector and mylar beamsplitter. For the $\nu_{4}$ band of $C_{6}H_{6}$, we have fit the following preliminary spectroscopic constants: $\nu_{0}=673.9747(2)cm^{-1},B^{\prime}=0.1896388(13)cm^{-1}(C^{\prime\prime}-B^{\prime})- (C^{\prime\prime}B^{\prime\prime})=0.1897739(10)cm^{-1}, D^{\prime\prime}_{J}=4.123(45)\times 10^{-8}cm^{-1},D^{\prime\prime}_{JK}=-6.94(5)\times 10^{-8}cm^{-1}$. For the $\nu_{4}$ band of $C_{6}D_{6}$, we have fit the following preliminary spectroscopic constants: $\nu_{0}=496.2086(1)cm^{-1}B^{\prime}=0.156919(5)cm^{-1}$ and $B^{\prime\prime}=0.157016(5)cm^{-1}$. Band centers of the observed sequences of hot bands for both isotopic modifications will be reported.
Description
Author Institution: Pacific Northwest National Laboratory, P.O. Box 999