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<strong>Significance of HOMO and LUMO studies on dye doped glycene lithium sulphate (GLS) crystals for non-linear optical applications</strong>

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Title Statement <strong>Significance of HOMO and LUMO studies on dye doped glycene lithium sulphate (GLS) crystals for non-linear optical applications</strong>
 
Added Entry - Uncontrolled Name kumar, sambath ; A.A.Govt. arts college
Suresh, G ; PG & Research Department of Physics , Thiru A Govindasamy Government Arts College, Tindivanam 604 002, India
Sahadevan, K ; PG & Research Department of Physics , Thiru A Govindasamy Government Arts College, Tindivanam 604 002, India
Kumaresan, P ; PG & Research Department of Physics , Thiru A Govindasamy Government Arts College, Tindivanam 604 002, India
[DST-SERB-FAST TRACK, PS-20/2009(SR)], New Delhi, India.
 
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GLS crystals; XRD studies; FT-IR; SHG measurements; HOMO–LUMO studies
 
Summary, etc. The ideal material that could have potential applications in non-linear optical (NLO) devices should possess the combination of large non-linear figure of merit for frequency conversion, high laser damage threshold, fast optical response time, wide phase matchable angle, architectural flexibility for molecular design and morphology, optical transparency and high mechanical strength. The stability of glycene lithium sulphate (GLS) single crystal has been improved by doping organic dyes. The structural, chemical, optical, mechanical and non-linear optical properties of the dye doped crystals have been analyzed with the characterization studies such as powder XRD, FT-IR, UV-Visible and SHG measurements, respectively. NMR, HOMO and LUMO energies have been performed by time dependent density functional theory (TD-DFT) approach. The Mulliken charge analysis indicates that the sulphur atoms of the benzene ring and the OH group attached to the ring are the main reactive centers of glycene lithium sulphate. And the temperature dependence of the thermodynamic properties of constant pressure (<em>C</em><sub>p</sub>), entropy (<em>S</em>) and enthalpy change (Δ<em>H</em>0→<em>T</em>) for glycene lithium sulphate have also been determined.
 
Publication, Distribution, Etc. Indian Journal of Pure & Applied Physics (IJPAP)
2019-04-01 13:41:41
 
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http://op.niscair.res.in/index.php/IJPAP/article/view/15799
 
Data Source Entry Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 57, ##issue.no## 3 (2019): Indian Journal of Pure & Applied Physics
 
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Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJPAP/article/download/15799/47303
 
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