کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5415544 1506769 2008 18 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Towards the complete analysis of the rotational spectrum of (CH3)3SnCl
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Towards the complete analysis of the rotational spectrum of (CH3)3SnCl
چکیده انگلیسی
The rotational spectrum of the symmetric top trimethyl tin chloride (CH3)3SnCl has been studied using a pulsed molecular beam Fourier transform microwave spectrometer in the frequency range from 3 to 24 GHz. The spectrum is exceedingly complicated by the internal rotation motions of the three equivalent methyl tops, the high number of Sn- and Cl-isotopes and the quadrupole hyperfine structure of the chlorine nucleus. In this paper, we present the microwave spectrum, ab initio calculations, permutation inversion (PI) group-theoretical considerations, Stark-effect measurements and finally the K = 0 assignments and fits of the different torsion-rotation species. Based on the Stark-effect measurements, the dipole moment is μ = 3.4980(30) D. Due to ΔK=±1-mixing effects we observe linear Stark-effect behavior and additional quadrupole splitting for some K=0 torsion-rotation transitions in (CH3)3SnCl, which can be group-theoretically explained. The symmetric rotor fit of A1 and A2 torsion-rotation states leads to an effective B-constant of 1680.040124(92) MHz for the main isotopologue (CH3)3120Sn35Cl. A global fit of 182 K=0 torsion-rotation transitions yields a V3 torsional barrier of 1.774(6) kJ.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 251, Issues 1–2, September–October 2008, Pages 38-55
نویسندگان
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