کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1406864 | 1501876 | 2008 | 7 صفحه PDF | دانلود رایگان |

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.
Journal: Journal of Molecular Structure - Volume 888, Issues 1–3, 15 October 2008, Pages 138–144