کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5376233 | 1504315 | 2008 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Three-dimensional intramolecular dynamics: Internal rotation of (CH3)3GeBr
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The microwave spectra of (CH3)374Ge79Br and its isotopologues (CH3)372Ge79Br and (CH3)374Ge81Br have been studied in the frequency range from 2.4-20Â GHz revealing the complex internal dynamics of this organometallic molecule with three internal rotors. The assignment of the complex spectrum has been facilitated by permutation-inversion theory - the appropriate molecular symmetry group is G162. The V3 barrier to internal rotation is determined to be 4.783(12)Â kJ/mol. An analysis of the bromine quadrupole coupling yields the description of the Ge-Br and the Ge-C bonding characters. From this analysis we find that the bromine atom has a positive partial charge resulting from Ï-backbonding of the bromine towards germanium. From isotopic substitution, the Ge-Br bond distance could be determined to 2.34589(21)Â Ã
.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 343, Issues 2â3, 29 January 2008, Pages 121-128
Journal: Chemical Physics - Volume 343, Issues 2â3, 29 January 2008, Pages 121-128
نویسندگان
Melanie Schnell, Jens-Uwe Grabow,