کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1406864 1501876 2008 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Bis(tyrammonium) sulfate dihydrate: Crystal structure, solid-state IR-spectroscopic and theoretical characterization
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Bis(tyrammonium) sulfate dihydrate: Crystal structure, solid-state IR-spectroscopic and theoretical characterization
چکیده انگلیسی

The title compound was synthesized and characterized by single crystal X-ray diffraction and solid-state polarized IR-spectroscopy of oriented colloids in a nematic host. The compound crystallizes in the monoclinic space group P21/c and its structure consists of a 3D supramolecular network of tyrammonium cations, water and sulfate anions directed by intermolecular hydrogen bonding interactions. Two non-equivalent tyrammonium cations are observed with pseudo T and T trans configurations, respectively. The vibrational characteristics of the non-equivalent molecules are assigned using solid-state polarized IR-spectroscopy. The structural and spectroscopic data are compared with theoretical calculations at the MP2/6-31++G∗ level of theory and basis set using the tyrammonium cation heptahydrate as a model system.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 888, Issues 1–3, 15 October 2008, Pages 138–144
نویسندگان
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