کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1409648 1501827 2011 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Concerning the electronic and geometric structure of bromodifluoroacetonitrile, CBrF2CN
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Concerning the electronic and geometric structure of bromodifluoroacetonitrile, CBrF2CN
چکیده انگلیسی

The pure rotational spectrum of bromodifluoroacetonitrile between 7.7 and 18 GHz has been measured on a chirped pulse microwave spectrometer. The spectra are dense with 889 measured transitions in the region. Rotational, centrifugal distortion, nuclear electric quadrupole coupling constants (79Br, 81Br, and 14N), and nuclear magnetic spin-rotation constants (79Br/81Br) were determined and are reported for the first time. Quantum chemical calculations were made of the nuclear quadrupole coupling constants to assist with assignment of the spectra. Spectra from both 13C isotopologues were measured in natural abundance. The effects of flourination on the nuclear electric quadrupole coupling tensor components for the series of monobrominated acetonitrile molecules are discussed.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 987, Issues 1–3, 22 February 2011, Pages 255–261
نویسندگان
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