Home
Resources
Publications
Low Temperature Raman Study of a Liquid Crystalline System 4-decyloxy Benzoic Acid (4DBA)

Low Temperature Raman Study of a Liquid Crystalline System 4-decyloxy Benzoic Acid (4DBA)

K Vikram, Rajib Nandi, Ranjan K Singh

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Aug;112:377-83.

PMID: 23686092

Abstract:

The Raman spectra of a liquid crystalline system, 4-Decyloxy benzoic acid (4DBA) have been recorded at different temperatures within the interval 300-78 K in order to identify the structural changes in crystalline state of a nematogen and to understand the molecular alignment therein. The earlier predicted dimer structure of 4DBA was optimized with DFT method and the theoretical Raman spectra of dimer as well as monomer have been calculated for comparison with the experimental spectra. The mode specific quartic coupling coefficient; A(i,ω) and phonon frequency; ωi have been calculated using temperature dependent anharmonic perturbation theory. The precise band shape analysis of Raman bands at ~807, ~881, ~1255, ~1282, ~1436, ~1576, ~1604, ~2881 and ~3081cm(-1) gives signature of temperature induced slow crystal modification. The structural changes leading to crystal modification have been discussed.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP5519233	4-(Decyloxy)benzoic acid		5519-23-3	Price

As a specialist in analytical chemical Products, Alfa Chemistry offers consumers a wealth of raw materials and a full range of technologies and services.

QUICK LINKS

HEADQUARTERS

Tel:

Fax:

Email: