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High-Resolution Infrared Spectrum of Monoiodoacetylene Between 2000 and 3000 cm−1

✍ Scribed by Anne-Maaria Ahonen; Tarmo Ahonen; Seppo Alanko


Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
260 KB
Volume
191
Category
Article
ISSN
0022-2852

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✦ Synopsis


The high-resolution infrared spectrum of monoiodoacetylene measured with a Bruker IFS 120 HR Fourier transform spectrometer in the spectral range of 2000 -3000 cm Ϫ1 has been studied in detail. The strongest bands observed in the wavenumber region investigated are the C-C stretching fundamental 2 (2034 -2082 cm Ϫ1 ) and the accompanying hot bands of the types 2 ϩ n Ϫ n , where n ϭ 3, 4, or 5, associated with the lowest stretching state v 3 ϭ 1 and with the low-lying bending states v 4 ϭ 1 and v 5 ϭ 1, 2, respectively. The combination bands of the types 2 ϩ n , where n is as above, starting direct from the ground state have also been observed. In addition, the weak overtone band 2 2 (4081-4121 cm Ϫ1 ) has been measured to study the anharmonicity of the C-C stretching mode. The new, more accurate values for the ground state rotational constants have been derived by combining the ground state combination differences calculated from our IR data available in the present work as well as in our previous investigations concerning the HCCI molecule to the accurate MW transitions from the literature. The rotational structures of the overtone level v 2 ϭ 2 and the combination levels v 2 ϭ v n ϭ 1, where n is as above, have been investigated by analyzing the observed spectra with a model including various Fermi-and l-type resonances. As a result, the values for the harmonic frequency 2 0 and the anharmonicity constants x 22 , x 23 , x 24 , and x 25 are determined.


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