01943nas a2200229   4500008004100000022001400041245010800055210006900163260007600232300001400308490000800322520112100330653001401451653001401465653002301479653001901502653001801521653001401539100002001553700001801573856012201591       2011                        eng d  a0020-760800aAb initio calculations of the geometry and polarizabilities of bisphenyls having aliphatic substituents0 aAb initio calculations of the geometry and polarizabilities of b  aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcAPR  a1092-11000 v1113 a<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>10aab initio10abisphenyl10aoptical anisotropy10apolarizability10aPolycarbonate10astructure1 aSulatha, M., S.1 aNatarajan, U.  uhttps://library.ncl.res.in/content/ab-initio-calculations-geometry-and-polarizabilities-bisphenyls-having-aliphatic-002255nas a2200277   4500008004100000022001400041245011700055210006900172260000900241300001100250490000800261520133500269653001201604653002701616653002901643653002001672653002301692100001701715700002201732700001801754700002001772700001901792700001901811700002101830856012601851       2022                        eng d  a0167-732200aElliptically birefringent chemically tuned liquid crystalline nanocellulose composites for photonic applications0 aElliptically birefringent chemically tuned liquid crystalline na  cNOV   a1203260 v3663 a<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>
10abagasse10aCellulose nanocrystals10aElliptical birefringence10aliquid crystals10aoptical anisotropy1 aSingh, Shiva1 aBhardwaj, Shakshi1 aVerma, Chhavi1 aChhajed, Monika1 aBalayan, Kajal1 aGhosh, Kaushik1 aMaji, Pradip, K.  uhttps://library.ncl.res.in/content/elliptically-birefringent-chemically-tuned-liquid-crystalline-nanocellulose-composites