Infrared Spectroscopic and X-ray Studies of the 4-Propyl-4′-isothiocyanatobiphenyl (3TCB)

Infrared Spectroscopic and X-ray Studies of the 4-Propyl-4′-isothiocyanatobiphenyl (3TCB)

The results of mid-infrared spectroscopy and X-ray studies of the third member of the 4-n-alkyl-4′-isothiocyanatobiphenyl (nTCB) homologous series are presented. Correspondence between the phase transitions observed by means of the IR spectroscopy and those given by the adiabatic calorimetry was fou...

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Bibliographic Details
Published in:The journal of physical chemistry. B Vol. 113; no. 21; pp. 7435 - 7442
Main Authors: Jasiurkowska, Małgorzata, Ściesiński, Jan, Czub, Joanna, Massalska-Arodź, Maria, Pełka, Robert, Juszyńska, Ewa, Yamamura, Yasuhisa, Saito, Kazuya
Format: Journal Article
Language:English
Published: United States American Chemical Society 28-05-2009
Subjects:
B: Macromolecules, Soft Matter
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Summary:The results of mid-infrared spectroscopy and X-ray studies of the third member of the 4-n-alkyl-4′-isothiocyanatobiphenyl (nTCB) homologous series are presented. Correspondence between the phase transitions observed by means of the IR spectroscopy and those given by the adiabatic calorimetry was found. The structure of five solid phases was obtained by X-ray measurements. IR spectroscopic and X-ray data give the arguments supporting the identification of the glass of smectic E phase. Assignment of the IR vibrational bands, in the smectic E, in the glass of smectic E, and in one of the crystalline phases, with help of the hybrid B3LYP/6-311++G(d,f) functional calculations is presented.
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ISSN:1520-6106
1520-5207
DOI:10.1021/jp901339c