@article { ISI:000287163800020,
	title = {Ab initio calculations of the geometry and polarizabilities of bisphenyls having aliphatic substituents},
	journal = {International Journal of Quantum Chemistry},
	volume = {111},
	number = {5},
	year = {2011},
	month = {APR},
	pages = {1092-1100},
	publisher = {WILEY-BLACKWELL},
	address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA},
	abstract = {<p>Ab initio geometry optimization and polarizability calculations of a series of bisphenyls, which are the model compounds of chemically different polycarbonates using HF/6-31G and 6-31G** basis sets are presented. Calculated absolute value of the conformationally averaged optical anisotropy (<gamma(2)>) of diphenyl propane, a model analog of bisphenol A polycarbonate, is higher than the corresponding experimental value in the dilute solution phase. The calculations have reproduced the relative trend in the optical anisotropy for the different bisphenyl model compounds in a manner similar to those using semiclassical approach, by incorporation of the condensed phase polarizabilities and quantum chemically calculated geometry structure into the valence optical scheme. Individual contributions to the gas phase polarizability and optical anisotropy of the model compounds for various dihedral conformers, because of the presence of different aliphatic chemical groups, are correctly predicted by the calculations here. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 111: 1092-1100, 2011</gamma(2)></p>},
	keywords = {ab initio, bisphenyl, optical anisotropy, polarizability, Polycarbonate, structure},
	issn = {0020-7608},
	doi = {10.1002/qua.22687},
	author = {Sulatha, M. S. and Natarajan, U.}
}
@article {48410,
	title = {Elliptically birefringent chemically tuned liquid crystalline nanocellulose composites for photonic applications},
	journal = {Journal of Molecular Liquids},
	volume = {366},
	year = {2022},
	month = {NOV },
	pages = {120326},
	type = {Article},
	abstract = {<p>
	Cellulose nanocrystals (CNCs) based photonic materials are one of the promising materials in the recent trends. The liquid crystalline behavior of the CNCs can be tailored to different advanced applications. The proposed research investigates the potential of CNCs as an optically active material. CNCs were tuned to hydroxypropyl nano cellulose (HPNC) with the degree of substitution 1.39. The prepared liquid crystalline HPNC were dispersed in various concentrations of monomethyl ether of polyethylene glycol to get waterborne materials with specific optical anisotropy. The extraction, modification, and morphology of the CNCs were investigated using NMR (Nuclear Magnetic Resonance), TEM (Transmission Electron Microscopy), XRD (X-ray Powder Diffraction), and FESEM (Field Emission Scanning Electron Microscopy) analysis. The prepared HPNC was analyzed using a hot stage POM (Polarized Optical Microscope) for optical anisotropy. The thermal stability of prepared CNCs and HPNC was also investigated. Upon optimization using rheology and POM, it was found that at the ratio of 1:1, HPNC (5 wt\%) and mPEG (40 wt\%) had the most distinct optical properties. The potential of the prepared materials can be further explored in sensing, smart coating, and security materials. (C) 2022 Elsevier B.V. All rights reserved.</p>
},
	keywords = {bagasse, Cellulose nanocrystals, Elliptical birefringence, liquid crystals, optical anisotropy},
	issn = {0167-7322},
	doi = {10.1016/j.molliq.2022.120326},
	author = {Singh, Shiva and Bhardwaj, Shakshi and Verma, Chhavi and Chhajed, Monika and Balayan, Kajal and Ghosh, Kaushik and Maji, Pradip K.}
}
