کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1411414 1501860 2009 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Spectroscopic and structural studies of bis[isopropoxy(thiocarbonyl)]sulfide, [(CH3)2CHOC(S)]2S
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Spectroscopic and structural studies of bis[isopropoxy(thiocarbonyl)]sulfide, [(CH3)2CHOC(S)]2S
چکیده انگلیسی

Structural and conformational properties of the molecule bis[isopropoxy(thiocarbonyl)]sulfide, [(CH3)2CHOC(S)]2S, have been studied by vibrational spectroscopy (IR and Raman) and quantum chemical calculations (HF and B3LYP with 6-31+G∗ basis sets). The crystal and molecular structure of the title compound was determined by X-ray diffraction methods. It crystallizes in the monoclinic C2/c space group with a = 8.4007(4), b = 13.5936(5), c = 10.3648(5) Å, β = 106.024(4)° and Z = 4 molecules per unit cell. The molecules are sited on a crystallographic twofold axis passing through the sulphide atom and arranged in layers perpendicular to the b-axis. The solid state IR and Raman spectra of the compound give no sign of any other rotamer.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 930, Issues 1–3, 30 July 2009, Pages 43–48
نویسندگان
, , , , ,