Factor group analysis and hyperpolarizability studies of nonlinear optical l-asparaginium picrate (LASP) crystals

P. Srinivasan; T. Kanagasekaran; R. Gopalakrishnan

doi:10.1016/j.saa.2007.12.044

Factor group analysis and hyperpolarizability studies of nonlinear optical l-asparaginium picrate (LASP) crystals

P. Srinivasan, T. Kanagasekaran, R. Gopalakrishnan

Advanced Institute for Materials Research (AIMR)

Research output: Contribution to journal › Article › peer-review

11 Citations (Scopus)

Abstract

The factor group analysis and the hyperpolarizability study were carried out for the l-asparaginium picrate (LASP) single crystals to explore the possible vibrational modes and the microscopic nonlinearity by the density functional triply parameter hybrid model DFT/B3LYP using GAUSSIAN 98W, respectively. The HF/6-31G (d,p) basis set has been employed. The calculated first order hyperpolarizability of LASP is 4.815 × 10^-29 esu. The Fourier transform infrared (FTIR) spectroscopic studies were performed for identifying different functional groups present in the compound.

Original language	English
Pages (from-to)	592-596
Number of pages	5
Journal	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume	71
Issue number	2
DOIs	https://doi.org/10.1016/j.saa.2007.12.044
Publication status	Published - 2008 Nov 15

Keywords

Hyperpolarizability
Nonlinear optics
Organic compounds

ASJC Scopus subject areas

Analytical Chemistry
Atomic and Molecular Physics, and Optics
Instrumentation
Spectroscopy

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10.1016/j.saa.2007.12.044

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abstract = "The factor group analysis and the hyperpolarizability study were carried out for the l-asparaginium picrate (LASP) single crystals to explore the possible vibrational modes and the microscopic nonlinearity by the density functional triply parameter hybrid model DFT/B3LYP using GAUSSIAN 98W, respectively. The HF/6-31G (d,p) basis set has been employed. The calculated first order hyperpolarizability of LASP is 4.815 × 10-29 esu. The Fourier transform infrared (FTIR) spectroscopic studies were performed for identifying different functional groups present in the compound.",

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AU - Gopalakrishnan, R.

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KW - Nonlinear optics

KW - Organic compounds

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Factor group analysis and hyperpolarizability studies of nonlinear optical l-asparaginium picrate (LASP) crystals

Abstract

Keywords

ASJC Scopus subject areas

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