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Raman and infrared vibrational frequencies and elastic properties of solid BaFCl calculated with various Hamiltonians: an ab initio study

✍ Scribed by Mérawa, Mohammadou; Noël, Yves; Civalleri, Bartolomeo; Brown, Ross; Dovesi, Roberto

Book ID
126994829
Publisher
Institute of Physics
Year
2005
Tongue
English
Weight
487 KB
Volume
17
Category
Article
ISSN
0953-8984

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## Abstract The Raman and infrared spectra (3500–50 cm^−1^) of the gas, liquid or solution, and solid were recorded of 2,2,3,3,3‐pentafluoropropylamine (CF~3~CF~2~CH~2~NH~2~) and the ND~2~ isotopomer. Variable temperature (−55 to − 100 °C) studies of the infrared spectra (3600–400 cm^−1^) of sample