DOI: 10.1366/000370203769699180. Crystal—Smectic G Transformation Investigated by Temperature-Dependent Raman Study

Crystal—Smectic G Transformation Investigated by Temperature-Dependent Raman Study

10.1366/000370203769699180

Crossref journal-article

SAGE Publications

Applied Spectroscopy (179)

Abstract

We report on a temperature-dependent Raman study of terephthalidine-bis-butylaniline (TBBA) and terephthalidine-bis-heptylaniline (TB7A) in the temperature range 10–406 K and in the wavenumber regions 1120–1240 cm−1 and 1500–1700 cm−1. The variations of peak positions and linewidths of several Raman marker bands with temperature, which clearly show crystal–SmG transition at ∼334 K, have been used to discuss the dynamics of this phase transition. The temperature-dependent Raman study revealed that the increased vibration of the long alkyl tail and the rotation around the long molecular axis are the two primary phenomena responsible for the crystal–SmG transition. Density functional theory (DFT) at the B3LPY/6-31G(d) level was employed to obtain the optimized geometry and the harmonic vibrational wavenumbers of TBBA. The eigenvectors of the modes corresponding to these marker bands were also calculated.

Bibliography

Singh, R. K., SchlÃ¼cker, S., Asthana, B. P., & Kiefer, W. (2003). CrystalâSmectic G Transformation Investigated by Temperature-Dependent Raman Study. Applied Spectroscopy, 57(10), 1288â1294.

Authors 4

Ranjan K. Singh (first)
S. Schlücker (additional)
B. P. Asthana (additional)
W. Kiefer (additional)

References 24 Referenced 9

10.1051/jphyslet:0197400350405300
10.1103/PhysRevA.12.681
10.1103/PhysRevA.14.1555
{'key': 'bibr4-000370203769699180', 'first-page': '1793', 'volume': '5', 'author': 'Farhi R.', 'year': '1995', 'journal-title': 'J. Phys. II Fr.'} / J. Phys. II Fr. by Farhi R. (1995)
10.4324/9780203211199
10.1088/0953-8984/9/37/012
10.1080/10587259708041791
{'key': 'bibr8-000370203769699180', 'first-page': '1635', 'volume': '66', 'author': 'Jen S.', 'year': '1997', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Jen S. (1997)
10.1080/10587259808024382
10.1002/(SICI)1097-4555(199902)30:2<81::AID-JRS348>3.0.CO;2-Z
10.1080/026782998205967
10.1080/10587259808045655
10.1080/026782999203436
Gray G. W., in Physical Properties of Liquid Crystals, Demus D., Goodby J., Gray G. W., Spiess H.W., Vill V., Eds. (Wiley-VCH, New York, 1999), p. 1.
10.1103/PhysRevE.61.5345
10.1103/PhysRevE.61.7235
10.1002/1097-4555(200007)31:7<543::AID-JRS481>3.0.CO;2-Q
10.1016/S0301-0104(99)00397-3
10.1002/jrs.906
{'volume-title': 'Gaussian 98, Revision A.7', 'year': '1998', 'author': 'Frisch M. J.', 'key': 'bibr20-000370203769699180'} / Gaussian 98, Revision A.7 by Frisch M. J. (1998)
10.1063/1.464913
10.1103/PhysRevB.37.785
10.1021/jp0122272
MOLDEN by Schaftenaar G. (1991).

Dates

Type	When
Created	21 years, 10 months ago (Oct. 17, 2003, 12:32 p.m.)
Deposited	5 months, 2 weeks ago (March 10, 2025, 6:36 p.m.)
Indexed	5 months, 2 weeks ago (March 11, 2025, 12:37 a.m.)
Issued	21 years, 10 months ago (Oct. 1, 2003)
Published	21 years, 10 months ago (Oct. 1, 2003)
Published Online	21 years, 10 months ago (Oct. 1, 2003)
Published Print	21 years, 10 months ago (Oct. 1, 2003)

Funders 0

None

BibTeX

@article{Singh_2003, title={Crystal—Smectic G Transformation Investigated by Temperature-Dependent Raman Study}, volume={57}, ISSN={1943-3530}, url={http://dx.doi.org/10.1366/000370203769699180}, DOI={10.1366/000370203769699180}, number={10}, journal={Applied Spectroscopy}, publisher={SAGE Publications}, author={Singh, Ranjan K. and Schlücker, S. and Asthana, B. P. and Kiefer, W.}, year={2003}, month=oct, pages={1288–1294} }

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  "abstract": "<jats:p> We report on a temperature-dependent Raman study of terephthalidine-bis-butylaniline (TBBA) and terephthalidine-bis-heptylaniline (TB7A) in the temperature range 10\u2013406 K and in the wavenumber regions 1120\u20131240 cm<jats:sup>\u22121</jats:sup> and 1500\u20131700 cm<jats:sup>\u22121</jats:sup>. The variations of peak positions and linewidths of several Raman marker bands with temperature, which clearly show crystal\u2013SmG transition at \u223c334 K, have been used to discuss the dynamics of this phase transition. The temperature-dependent Raman study revealed that the increased vibration of the long alkyl tail and the rotation around the long molecular axis are the two primary phenomena responsible for the crystal\u2013SmG transition. Density functional theory (DFT) at the B3LPY/6-31G(d) level was employed to obtain the optimized geometry and the harmonic vibrational wavenumbers of TBBA. The eigenvectors of the modes corresponding to these marker bands were also calculated. </jats:p>",
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