A highly efficient organic nonlinear optical donor-acceptor single crystal: L-valinium picrate

P. Srinivasan; T. Kanagasekaran; R. Gopalakrishnan

doi:10.1021/cg701143n

A highly efficient organic nonlinear optical donor-acceptor single crystal: L-valinium picrate

P. Srinivasan, T. Kanagasekaran, R. Gopalakrishnan

Advanced Institute for Materials Research (AIMR)

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

54 Citations (Scopus)

Abstract

This report presents the growth and characterization of L-valinium picrate (LVAP) single crystals. Density functional theory at the B3LYP/ HF6-31G (d,p) level has been used to compute the first order hyperpolarizabilty of LVAP. The second harmonic generation (SHG) efficiency of the title compound is reported for the first time in the literature and is found to be very high. Planar molecular structure and better conditions for electron conjugation and charge transfer result in larger values of β for this title crystal.

Original language	English
Pages (from-to)	2340-2345
Number of pages	6
Journal	Crystal Growth and Design
Volume	8
Issue number	7
DOIs	https://doi.org/10.1021/cg701143n
Publication status	Published - 2008 Jul 1

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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abstract = "This report presents the growth and characterization of L-valinium picrate (LVAP) single crystals. Density functional theory at the B3LYP/ HF6-31G (d,p) level has been used to compute the first order hyperpolarizabilty of LVAP. The second harmonic generation (SHG) efficiency of the title compound is reported for the first time in the literature and is found to be very high. Planar molecular structure and better conditions for electron conjugation and charge transfer result in larger values of β for this title crystal.",

author = "P. Srinivasan and T. Kanagasekaran and R. Gopalakrishnan",

year = "2008",

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AU - Kanagasekaran, T.

AU - Gopalakrishnan, R.

PY - 2008/7/1

Y1 - 2008/7/1

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AB - This report presents the growth and characterization of L-valinium picrate (LVAP) single crystals. Density functional theory at the B3LYP/ HF6-31G (d,p) level has been used to compute the first order hyperpolarizabilty of LVAP. The second harmonic generation (SHG) efficiency of the title compound is reported for the first time in the literature and is found to be very high. Planar molecular structure and better conditions for electron conjugation and charge transfer result in larger values of β for this title crystal.

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A highly efficient organic nonlinear optical donor-acceptor single crystal: L-valinium picrate

Abstract

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