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Full-Text Articles in Physics
Synthesis, Structural And Thermal Studies Of Dl-Alanine Potassium Di- Chromate Single Crystals, Sundararaj Lincy Mary Ponmani, Soundararajan Gnanakkan Pushpalatha Gracelin, Somasundaram Selvakumar, Subbaiah Chelladurai Vella Durai
Synthesis, Structural And Thermal Studies Of Dl-Alanine Potassium Di- Chromate Single Crystals, Sundararaj Lincy Mary Ponmani, Soundararajan Gnanakkan Pushpalatha Gracelin, Somasundaram Selvakumar, Subbaiah Chelladurai Vella Durai
Makara Journal of Science
Amino acids and their complexes are organic or semiorganic materials that have attracted considerable attention because they can be easily used in optical storage devices. DL-alanine is one of the rare amino acids that crystallizes in anoncentrosymmetric group. This article demonstrates how DL-alanine potassium dichromate (DAPC) single crystals have shown sufficient growth. DAPC crystals were analyzed by single crystal X-ray diffraction and powder X-ray diffraction. Using thermogravimetric analysis/differential thermal analysis (TGA/DTA) and differential scanning calorimetry, this work also examined the melting point, thermal stability, decomposition point, and other thermal parameters of the DAPC crystals. Results show that the decomposition point …
Dft-Based Study Of Electric Field Effect On The Polarizability Of Three Ringed Nematic Liquid Crystal Molecules, Pranav Upadhyay, Mirtunjai Mishra, Ankur Trivedi, Jitendra Kumar, Asheesh Kumar, Devesh Kumar
Dft-Based Study Of Electric Field Effect On The Polarizability Of Three Ringed Nematic Liquid Crystal Molecules, Pranav Upadhyay, Mirtunjai Mishra, Ankur Trivedi, Jitendra Kumar, Asheesh Kumar, Devesh Kumar
Makara Journal of Science
Owing to its successful application to complex molecular systems, computational density functional theory (DFT) has been used to study the effect of an electric field on the molecular polarizability and HOMO–LUMO gap of 1-phenyl-4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}benzene (1) and its fluoro-, chloro-, and cyano- derivatives, namely, 1-fluoro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (2), 1-chloro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (3), and 4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzonitrile (4). These molecules belong to the family of nematic liquid crystals with three rings: two benzene and one cyclohexane. Furthermore, two DFT approaches, namely, B3LYP and M062X, have been used to examine the results obtained. This study reveals a remarkable feature: the polarizability of these molecules follows nearly a step function …