کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5416021 1393790 2006 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Assignment and analysis of the rotational spectrum of 3-chlorobenzonitrile
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Assignment and analysis of the rotational spectrum of 3-chlorobenzonitrile
چکیده انگلیسی
The rotational spectrum of 3-chlorobenzonitrile has been assigned and measured over the frequency region 9-290 GHz, both in the static sample and in supersonic expansion. Extensive measurements are reported for the ground states of the 35Cl and the 37Cl isotopomers. Precise spectroscopic constants have been determined from global fits to all available data, including resolved hyperfine splitting structure due to the presence of the chlorine and the nitrogen quadrupolar nuclei. Principal nuclear quadrupole tensors are derived for both 35Cl and 14N nuclei in the parent isotopomer, and the results are compared with those for related molecules. The values of all spectroscopic constants are confronted with predictions from ab initio calculations in order to assess the utility of the array of simple techniques employed to increase quantitative accuracy of such predictions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 239, Issue 1, September 2006, Pages 88-93
نویسندگان
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