Synthesis, Crystal Growth, Characterization, and Theoretical Studies of 3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one

被引：3

作者：

Meenatchi, V. ^{[1
]}

Muthu, K. ^{[1
]}

Rajasekar, M. ^{[1
]}

Meenakshisundaram, S. P. ^{[1
]}

机构：

[1] Annamalai Univ, Dept Chem, Annamalainagar 608002, Tamil Nadu, India

来源：

MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 2015年 / 609卷 / 01期

关键词：

FT-IR; optical properties; X-ray diffraction; thermal analysis; hyperpolarizability; 2ND HARMONIC-GENERATION; DERIVATIVES;

D O I：

10.1080/15421406.2014.954309

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Single crystals of 3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one (FMPP) have been grown by mixed solvent system ethanol and chloroform 2:1 (v/v) at room temperature. Single crystal X-ray diffraction reveals that FMPP belongs to monoclinic system with four molecules in the unit cell. The structure and the crystallinity of the material were further confirmed by FT-IR, FT-Raman, and powder X-ray diffraction analyses. The band gap energy is estimated by Kubelka-Munk algorithm using DRS data. Theoretical calculations were performed to derive the optimized geometry and the first-order molecular hyperpolarizability (beta) values. The as-grown crystal is further characterized by GC-Mass, SEM, and thermal analyses.

引用

页码：171 / 182

页数：12

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