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Rovibrational Analysis of the ν2 Band of Diazirine-d2

✍ Scribed by A. Gambi; P. Stoppa; A. Baldacci; F. Hegelund

Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
124 KB
Volume
205
Category
Article
ISSN
0022-2852

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✦ Synopsis

The gas-phase IR spectrum of the 2 ( A 1 , 1610.33 cm Ϫ1 ) band of the deuterated isotopomer of diazirine, D 2 CN 2 , a three-membered ring compound which belongs to the molecular symmetry point group C 2v , has been studied at a resolution of about 0.005 cm Ϫ1 . This vibrational mode which can be approximately described as NAN stretching is widely perturbed. This is due to various interactions with the tetrad consisting of the binary combinations 6 ϩ 7 ( A 1 ), 7 ϩ 9 ( A 2 ), 5 ϩ 6 (B 2 ), and 5 ϩ 9 (B 1 ), which form a relatively isolated pentad together with 2 in the wavenumber region 1560 -1610 cm Ϫ1 . A simultaneous upper state analysis of 2 from a pentad model including these resonances has been performed and a set of spectroscopic parameters has been obtained. Since the four combination bands of the pentad are dark states, only band centers could be determined; in addition for 5 ϩ 9 and 7 ϩ 9 also the term (B Ϫ C)/ 2 has been obtained. A number of Coriolis interaction constants and the vibrational resonance (with 6 ϩ 7 ) parameter have been calculated as well.

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