کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416087 | 1393794 | 2006 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The ground and first excited torsional states of methyl carbamate
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
A global fit within experimental accuracy of microwave and millimeter-wave transitions in the ground and first excited torsional states of methyl carbamate (H2NC(O)OCH3) is presented. The data set consisting of 995 vt = 0 and 731 vt = 1 transition frequencies combines 1544 new measurements from Kharkov with previously published vt = 0 microwave lines. In this study the so-called “rho axis method” that treats simultaneously both A and E species of the ground and first excited torsional states is applied to the methyl carbamate data set for the first time. The final fit requires only 32 parameters to achieve a unitless weighted standard deviation for the whole fit of 0.89 for a total of 1726 transitions with rotational quantum numbers up to J ⩽ 20 and Ka ⩽ 10. The barrier to internal rotation of the methyl group obtained in this study, V3 = 359.141(24) cmâ1, is in good agreement with previously published values but more accurate.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 240, Issue 1, November 2006, Pages 127-132
Journal: Journal of Molecular Spectroscopy - Volume 240, Issue 1, November 2006, Pages 127-132
نویسندگان
V. Ilyushin, E. Alekseev, J. Demaison, I. Kleiner,