کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1332046 979027 2008 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Quantum chemical study and low-temperature calorimetry of phase transition in V4S9Br4
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Quantum chemical study and low-temperature calorimetry of phase transition in V4S9Br4
چکیده انگلیسی

The phase transition in a mixed-valence tetranuclear compound V4S9Br4 was studied by DFT calculations and low-temperature high-precision calorimetry. According to DFT data, the phase transition of the low-temperature modification may be accompanied by C4v→C2v symmetry lowering and electron spin pairing. A weak exchange-correlation interaction discovered between μ4-S2− and S2− ions in V4S9Br4 may play an important part in multicentered interactions. Experimental calorimetric data show that the phase transition is a displacive phase transformation.

Dysinaptic basins of electron spin pairing in low-temperature phase V4S9Br4 (arrows).Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Solid State Chemistry - Volume 181, Issue 10, October 2008, Pages 2877–2881
نویسندگان
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