Experimental and DFT generated Raman study of two bent-core monomeric liquid crystalline compounds

References

• Nandi R, Vikram K, Singh SK, et al. Synthesis and mesomorphic investigation of calamitic liquid crystalline system ethyl-[4-(4′-decyloxy) benzoyloxy]-benzoate (4-EDBB): A temperature dependent micro-raman study and DFT calculations. Vib Spectrosc. 2013;69:40–48.
   Web of Science ®Google Scholar
• Sarkar SK, Das MK. Critical behavior of optical birefringence at the nematic–smectic A phase transition in a binary liquid crystal system. J Mol Liq. 2014;199:415–418.
   Web of Science ®Google Scholar
• Das MK, Paul R. Optical birefringence, density and order parameter of an ester-biphenyl mixture exhibiting an injected smectic phase. Phase Transitions: Multinational Journal. 1994;46(3):185–197.
   Web of Science ®Google Scholar
• Nandi R, Singh HK, Singh SK, et al. Mesomorphic, micro-Raman and DFT studies of new calamitic liquid crystals; methyl 4-[4-(4-alkoxy benzoyloxy) benzylideneamino] benzoates. Spectrochimica Acta A: Mol Biomol Spectrosc. 2014;128:248–256.
   PubMed Web of Science ®Google Scholar
• Pramanik A, Das MK, Das B, et al. Electro-optical properties of a new series of fluorinated antiferroelectric orthoconic liquid crystalline esters. Liq Cryst. 2015;42(3):412–421.
   Web of Science ®Google Scholar
• Bhattacharjee D, Alapati PR, Bhattacharjee A. Negative optical anisotropic behaviour of two higher homologues of 5O. m series of liquid crystals. J Mol Liq. 2016;222:55–60.
   Web of Science ®Google Scholar
• Bhattacharjee D, Alapati PR, Bhattacharjee A. Negative birefringence in the higher homologs of the 5O. m series of liquid crystals. J Phys Chem B. 2016;120(27):6747–6753.
   PubMed Web of Science ®Google Scholar
• Bhattacharjee D, Alapati PR, Bhattacharjee A. Molecular polarization, order parameter and dielectric study of a dimeric compound. J Mol Liq. 2016;224:507–514.
   Web of Science ®Google Scholar
• Bhattacharjee D, Bhattacharjee A. Density and phase transition study of the liquid crystal compound 50.16. In AIP Conf Proc. 2015;1661:110003.
   Google Scholar
• Bhattacharjee D, Alapati PR, Bhattacharjee A. Electrical properties of interdigitated partially bent like shaped liquid crystalline compound. Molecular Crystals Liquid Crystals. 2017;648(1):66–76.
   Web of Science ®Google Scholar
• Avci N, Borshch V, Sarkar DD, et al. Viscoelasticity, dielectric anisotropy, and birefringence in the nematic phase of three four-ring bent-core liquid crystals with an L-shaped molecular frame. Soft Matter. 2013;9(4):1066–1075.
   Web of Science ®Google Scholar
• Alaasar M, Prehm M, Brautzsch M, et al. 4-Methylresorcinol based bent-core liquid crystals with azobenzene wings–a new class of compounds with dark conglomerate phases. J Mater Chem C. 2014;2(28):5487–5501.
   Web of Science ®Google Scholar
• Nagaraj M, Görtz V, Goodby JW, et al. Electrically tunable refractive index in the dark conglomerate phase of a bent-core liquid crystal. Appl Phys Lett. 2014;104(2):021903.
   Web of Science ®Google Scholar
• Agarwal AK, Suresh KA, Pal SK, et al. Twist viscoelastic coefficient of novel thiol terminated alkoxy-cyanobiphenyl nematic liquid crystals. J Chem Phys. 2007;126(16):164901.
   PubMed Web of Science ®Google Scholar
• Dash SK, Singh RK, Alapati PR, et al. Dynamics of phase transitions in a liquid crystalline compound (TBDA) probed by Raman spectroscopy. Journal Physics: Condensed Matter. 1997;9(37):7809.
   Web of Science ®Google Scholar
• Dash SK, Singh RK, Alapati PR, et al. Laser raman study of terepthalylidene-bis-pn-decylaniline (TBDA). Molecular crystals and liquid crystals science and technology. Section a. Molecular Crystals Liquid Crystals. 1998;319(1):147–158.
   Web of Science ®Google Scholar
• Drużbicki K, Mikuli E. Experimental (FT-IR and FT-RS) and theoretical (DFT) studies of molecular structure and internal modes of [Mn (NH3) 6](NO3) 2. spectrochimica acta part A. Mol Biomol Spectrosc. 2010;77(2):402–410.
   PubMed Web of Science ®Google Scholar
• Gogoi B, Bhattacharjee A, Alapati PR, et al. Laser raman studies on compounds 7. O4O. 7 and 7. O5O. 7. Liq Cryst. 2003;30(8):931–938.
   Web of Science ®Google Scholar
• Govindarajan M, Periandy S, Carthigayen K. FT-IR and FT-Raman spectra, thermo dynamical behavior, HOMO and LUMO, UV, NLO properties, computed frequency estimation analysis and electronic structure calculations on α-bromotoluene. Spectrochimica Acta A: Mol Biomol Spectrosc. 2012;97:411–422.
   PubMed Web of Science ®Google Scholar
• Nandi R, Singh SK, Singh HK, et al. Molecular approach to phase transitions in a calamitic ester substituted aroylhydrazone liquid crystal. J Raman Spectrosc. 2016;47(9):1095–1101.
   Web of Science ®Google Scholar
• Sinha L, Prasad O, Narayan V, et al. Raman, FT-IR spectroscopic analysis and first-order hyperpolarisability of 3-benzoyl-5-chlorouracil by first principles. Mol Simul. 2011;37(2):153–163.
   Web of Science ®Google Scholar
• Szostak E, Drużbicki K, Mikuli E. Molecular structure and vibrational spectrum of [Mg ((CH3) 2SO) 6](ClO4) 2 studied by infrared and Raman spectroscopies and DFT computations. J Mol Struct. 2010;970(1–3):139–146.
   Web of Science ®Google Scholar
• Gogoi B, Arulsankar A, Alapati PR. Molecular crystals and liquid crystals science and technology. section A. Molecular Crystals Liquid Crystals. 2001;366:69.
   Google Scholar
• Gogoi B, Arulsankar A, Alapati PR. Investigation of rare phase transitions by density measurements. molecular crystals and liquid crystals science and technology. section A. Molecular Crystals Liquid Crystals. 2001;366(1):69–77.
   Google Scholar
• Krishnakumar V, Dheivamalar S. Density functional theory study of Fourier transform infrared and Raman spectra of 2-amino-5-chloro benzonitrile. Spectrochimica Acta A: Mol Biomol Spectrosc. 2008;71(2):465–470.
   PubMed Web of Science ®Google Scholar
• Krishnakumar V, Keresztury G, Sundius T, et al. Simulation of IR and Raman spectra based on scaled DFT force fields: a case study of 2-(methylthio) benzonitrile, with emphasis on band assignment. J Mol Struct. 2004;702(1–3):9–21.
   Web of Science ®Google Scholar
• Krishnakumar V, Prabavathi N. Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment. Spectrochimica Acta A: Mol Biomol Spectrosc. 2008;71(2):449–457.
   PubMed Web of Science ®Google Scholar
• Krishnakumar V, Ramasamy R. Density functional and experimental studies on the FT-IR and FT-Raman spectra and structure of 2, 6-diamino purine and 6-methoxy purine. Spectrochimica Acta A: Mol Biomol Spectrosc. 2008;69(1):8–17.
   PubMed Web of Science ®Google Scholar
• Bhattacharjee D, Dabrowski R, Bhattacharjee A. Theoretical investigation of nonlinear optical and vibrational properties of two liquid crystalline compounds. J Mol Liq. 2018;255:80–92.
   Web of Science ®Google Scholar