Charge transfer interaction and nonlinear optical properties of barium chloride and thiourea complexes: a vibrational spectroscopic study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F11%3A10104233" target="_blank" >RIV/00216208:11310/11:10104233 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1002/jrs.2854" target="_blank" >http://dx.doi.org/10.1002/jrs.2854</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/jrs.2854" target="_blank" >10.1002/jrs.2854</a>

Result language
angličtina
Original language name
Charge transfer interaction and nonlinear optical properties of barium chloride and thiourea complexes: a vibrational spectroscopic study
Original language description
The nonlinear optical (NLO) semiorganic crystals barium thiourea chloride (BTC), barium bis-(thiourea) chloride (BTBC) and barium tetrakis-(thiourea) chloride (BTTC) were grown by the slow evaporation technique. FT-Raman and IR spectra of the crystallized NLO materials were recorded and analyzed. The equilibrium geometry, bonding features and harmonic vibrational wavenumbers were investigated with the help of B3LYP density functional theory (DFT) method.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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