کد مقاله کد نشریه سال انتشار مقاله انگلیسی ترجمه فارسی نسخه تمام متن
1407916 1501901 2007 10 صفحه PDF سفارش دهید دانلود رایگان
عنوان انگلیسی مقاله ISI
First order temperature-dependent phase transition of hexamethylenetetraminium 3,5-dinitrobenzoate hemihydrate crystal: Landau phenomenological theory approach
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موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
First order temperature-dependent phase transition of hexamethylenetetraminium 3,5-dinitrobenzoate hemihydrate crystal: Landau phenomenological theory approach
چکیده انگلیسی

The crystal of hexamethylenetetraminium-3,5-dinitrobenzoate hemihydrate (I) undergoes a reversible temperature-dependent phase transition from triclinic P-1 at the temperature higher than the critical temperature (Tc) 129 K to another triclinic P-1 at temperature lower than Tc. The phase transition is of first order, involving a discontinuity and a doubling of the c-axis at Tc. The other unit cell parameters also undergo discontinuities during transition. The transition is explained by Landau phenomenological theory. The crystal structure analyses for data collected at 297(2) and 100.0(1) K show that there are two O–H…O hydrogen bonds between the 3,5-dinitrobenzoate and water molecule and two N–H…O hydrogen bonds between hexamethylenetetraminium and 3,5-dinitrobenzoate in the asymmetric unit of adduct I at 297(2) K whereas there are another two more N–H…O hydrogen bonds at 100.0(1) K. At 297(2) K, intermolecular N–H…O hydrogen bonds link the hexamethylenetetraminium and 3,5-dinitrobenzoate ions into layers stacked down the c-axis whereas at the 100.0(1) K the ions are linked into chains parallel to the b-axis. In the structures at both temperatures another C–H…O and C–H…N weak interactions interconnect the molecules into a three-dimensional network. The shorter donor–acceptor distances of the prevailing hydrogen bonds and the extra weak interactions interconnecting the hexamethylenetetraminium, 3,5-dinitrobenzoate and water molecule in the low temperature triclinic polymorph are attributable to the reversible temperature-dependent phase transition.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 837, Issues 1–3, 30 June 2007, Pages 132–141
نویسندگان
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