A Highly Efficient Organic Nonlinear Optical Donor−Acceptor Single Crystal: l-Valinium Picrate
作者： P. Srinivasan , T. Kanagasekaran , R. Gopalakrishnan
DOI: 10.1021/CG701143N
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摘要: This report presents the growth and characterization of l-valinium picrate (LVAP) single crystals. Density functional theory at B3LYP/ HF6-31G (d,p) level has been used to compute first order hyperpolarizabilty LVAP. The second harmonic generation (SHG) efficiency title compound is reported for time in literature found be very high. Planar molecular structure better conditions electron conjugation charge transfer result larger values β this crystal.
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