Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3 in the Ground and Different Excited Vibrational States
The millimeter-wave rotational spectra of the ground and excited vibrational states v8 = 1 and v8 = 2 of the symmetric top molecule CD3CN have been analyzed again. The l = ± 1 in v8 =1, l = 0 and l = ± 2 series in v8 = 2 states have been assigned respectively. The assignment and analysis of the meas...
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| Format: | Article |
| Language: | English |
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Wiley
2008-01-01
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| Series: | E-Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2008/253610 |
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| author | Motamedi Masoud Moradi Parinaz |
| author_facet | Motamedi Masoud Moradi Parinaz |
| author_sort | Motamedi Masoud |
| collection | DOAJ |
| description | The millimeter-wave rotational spectra of the ground and excited vibrational states v8 = 1 and v8 = 2 of the symmetric top molecule CD3CN have been analyzed again. The l = ± 1 in v8 =1, l = 0 and l = ± 2 series in v8 = 2 states have been assigned respectively. The assignment and analysis of the measurements with a least – squares procedure have made it possible to obtain the rotational, quartic and sextic centrifugal distortion constants with more reliable and higher accuracy. Analysis of the v8 = 2 state gave the following rotational parameters: Aζ = 62218.96 MHz and xll = 87527.70 MHz. Investigation in v8 = 2 state indicates that l-resonance is observed for this molecule around k=xℓℓ+(A−B)−2AζAζ−(A−B)≈4
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| format | Article |
| id | doaj-art-e88c4ab6ba484adab0e90b09d4d51de7 |
| institution | Kabale University |
| issn | 0973-4945 2090-9810 |
| language | English |
| publishDate | 2008-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | E-Journal of Chemistry |
| spelling | doaj-art-e88c4ab6ba484adab0e90b09d4d51de72025-02-03T00:59:31ZengWileyE-Journal of Chemistry0973-49452090-98102008-01-015220121810.1155/2008/253610Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3 in the Ground and Different Excited Vibrational StatesMotamedi Masoud0Moradi Parinaz1Department of Chemistry, Faculty of Science, University of Kurdistan, Sanandaj, IranDepartment of Chemistry, Faculty of Science, University of Kurdistan, Sanandaj, IranThe millimeter-wave rotational spectra of the ground and excited vibrational states v8 = 1 and v8 = 2 of the symmetric top molecule CD3CN have been analyzed again. The l = ± 1 in v8 =1, l = 0 and l = ± 2 series in v8 = 2 states have been assigned respectively. The assignment and analysis of the measurements with a least – squares procedure have made it possible to obtain the rotational, quartic and sextic centrifugal distortion constants with more reliable and higher accuracy. Analysis of the v8 = 2 state gave the following rotational parameters: Aζ = 62218.96 MHz and xll = 87527.70 MHz. Investigation in v8 = 2 state indicates that l-resonance is observed for this molecule around k=xℓℓ+(A−B)−2AζAζ−(A−B)≈4 .http://dx.doi.org/10.1155/2008/253610 |
| spellingShingle | Motamedi Masoud Moradi Parinaz Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3 in the Ground and Different Excited Vibrational States E-Journal of Chemistry |
| title | Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3 in the Ground and Different Excited Vibrational States |
| title_full | Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3 in the Ground and Different Excited Vibrational States |
| title_fullStr | Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3 in the Ground and Different Excited Vibrational States |
| title_full_unstemmed | Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3 in the Ground and Different Excited Vibrational States |
| title_short | Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3 in the Ground and Different Excited Vibrational States |
| title_sort | theoretical study of rotational spectroscopy of acetonitrile d3 in the ground and different excited vibrational states |
| url | http://dx.doi.org/10.1155/2008/253610 |
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