کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7810654 1501766 2013 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A solid-state density functional theory investigation of the effect of metal substitution (Metal = Mn, Cd, Co) on the terahertz spectra of isomorphous molecular metal 5-(4-pyridyl)tetrazolato complexes
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
A solid-state density functional theory investigation of the effect of metal substitution (Metal = Mn, Cd, Co) on the terahertz spectra of isomorphous molecular metal 5-(4-pyridyl)tetrazolato complexes
چکیده انگلیسی

- The THz spectra of isomorphous metal 5-(4-pyridyl)tetrazolato complexes were compared.
- The structure and vibrational spectra were modeled using solid-state DFT methods.
- The mass and size of the central metal has a large effect on the vibrational modes.
- A mode was found that shifts to higher frequencies as the mass of the metal increases.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1048, 24 September 2013, Pages 214-222
نویسندگان
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