| タイトル | MICROWAVE SPECTRA OF O-BENZYNE PRODUCED IN A DISCHARGE $NOZZLE ^{a}$ |
| 参考URL | http://hdl.handle.net/1811/20858 |
| 著者（英） | Kukolich, Stephen G.; Tanjaroon, Chakree; McCarthy, M. C.; Thaddeus, P. |
| 発行日 | 2003 |
| 発行機関など | Ohio State University |
| 言語 | English |
| 内容記述 | $^{a}$Supported by THE NATIONAL SCIENCE FOUNDATION
Author Institution: Department of Chemistry, University of Arizona; Harvard-Smithsonian Center for Astrophysics and Division of Applied Sciences, Harvard University
Benzynes have been known as reactive intermediates in organic reactions for many years, and have recently been implicated in gasoline combustion reactions and antitumor activity of enediyenes. Rotational transitions were measured for the normal isotopomer, the two unique single-D isotopomers and the $^{13}C_{6}$ iso-topomer of o-benzyne(o-didehydrobenzene), using a pulsed-beam Fourier transform spectrometer with an electric discharge nozzle source, using a dilute($< 1%$) mixture of benzene in neon. 27 b-dipole transitions for the normal isotopomer were measured in the 7-40 GHz range to obtain $A = 6989.7303(72), B = 5706.8045(71)$ and $C = 3140.3714(50)$ MHz, and five centrifugal distortion constants. The inertial defect is $\delta = 0.06935$ amu ${\AA}^{2}$, consistent with a planar structure. Deuterium hyperfine structure for the $D_{1}$(closest to the C-C triple bond) and $D_{2}$ (furthest from the triple bond), was analysed to obtain deuterium quadrupole coupling strengths $eQq_{aa} = 231(17)$ kHz, $eQq_{bb} = -88(13)$ kHz, for $D_{1}$, and $eQq^{aa} = 29(12)$, and $eQq_{bb} = 83(12)$ kHz, for $D_{2}$. The C-D bond axis quadrupole coupling strengths will be compared with values for benzene. |
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