Experimental and theoretical investigations of non-centrosymmetric 8-hydroxyquinolinium dibenzoyl-(L)-tartrate methanol monohydrate single crystal

被引：9

作者：

Sudharsana, N. ^{[1
]}

Krishnakumar, V. ^{[2
]}

Nagalakshmi, R. ^{[1
]}

机构：

[1] Natl Inst Technol, Dept Phys, Tiruchirappalli 620015, Tamil Nadu, India

[2] Periyar Univ, Dept Phys, Salem 636011, India

来源：

MATERIALS RESEARCH BULLETIN | 2015年 / 61卷

关键词：

Organic compounds; Crystal growth; Optical properties; Nuclear magnetic resonance (NMR); Crystal structure; NONLINEAR-OPTICAL CRYSTAL; VIBRATIONAL-SPECTRA; MOLECULAR-STRUCTURE; SPECTROSCOPIC CHARACTERIZATION; COMPLEXES; GROWTH; ACID;

D O I：

10.1016/j.materresbull.2014.09.068

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A novel 8-hydroxyquinolinium dibenzoyl-(L)-tartrate methanol monohydrate crystal has been grown by slow evaporation technique. The single crystal X-ray diffraction analysis has been done for the title compound and is found to crystallize in orthorhombic space group P2(1)2(1)2(1). The optical absorption cut-off wavelength is found to be 440 nm. The vibrational analysis has been carried out to assess the functional groups present in the title compound. The molecular structure of the title compound has been confirmed by nuclear magnetic resonance spectroscopy. Thermogravimetric, differential scanning calorimetric and differential thermal analyses reveal the melting point and thermal stability of the title compound. The second harmonic generation efficiency is confirmed by Kurtz-Perry powder technique. Further quantum chemical calculations are performed using Gaussian 03 software. (C) 2014 Elsevier Ltd. All rights reserved.

引用

页码：136 / 145

页数：10

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