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HIGH RESOLUTION INFRARED SPECTRA OF ISOTOPIC BENZENES, $^{13}C_{6}H_{6}$ AND $^{12}C_{5}D_{5}$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/17802

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Title: HIGH RESOLUTION INFRARED SPECTRA OF ISOTOPIC BENZENES, $^{13}C_{6}H_{6}$ AND $^{12}C_{5}D_{5}$
Creators: Pliva, J.; Johns, J. W. C.; Goodman, Lionel; Valentin, A.; Henry, L.
Issue Date: 1989
Abstract: Three perpendicular bands of $^{13}C_{6}H_{6}$ and two bands of $^{12}C_{5}D_{5}$ have been measured with high resolution Fourier transform instruments to provide reliable data necessary for calculations of the force field for the benzene molecule. Analysis of the $^{13}C_{6}H_{6}$, bands $\nu_{14}, \nu_{13}$ and $\nu_{12}$ near 1018 , 1454 and 3065 $cm^{-1}$ respectively, and of the $^{12}C_{6}D_{6}$ bands 14 and and $\nu_{13}$ near 814 and $1335 cm^{-1}$, yielded accurate values for the band origins , Coriolis coupling parameters , for the vibrational dependences of the rotational constants B and C, as well as for the ground state constants $B_{q}, D_{0}^{J}$, and $D^{0}_{JK}$ of these molecules. It is found that the observed isotopic shifts in the values of the Coriolis constants $\xi_{t}$ on substitutions $^{12}C_{5} \to ^{13}C_{6}$ and $H_{6}\to D_{6}$ cannot be accurately accounted for by a general harmonic force field for the $E_{14}$ normal modes of benzene, probably due to anharmonic effects.
URI: http://hdl.handle.net/1811/17802
Other Identifiers: 1989-MF-12
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