About: Charge transfer interaction and nonlinear optical properties of barium chloride and thiourea complexes: a vibrational spectroscopic study     Goto   Sponge   NotDistinct   Permalink

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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.
  • 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. (en)
Title
  • Charge transfer interaction and nonlinear optical properties of barium chloride and thiourea complexes: a vibrational spectroscopic study
  • Charge transfer interaction and nonlinear optical properties of barium chloride and thiourea complexes: a vibrational spectroscopic study (en)
skos:prefLabel
  • Charge transfer interaction and nonlinear optical properties of barium chloride and thiourea complexes: a vibrational spectroscopic study
  • Charge transfer interaction and nonlinear optical properties of barium chloride and thiourea complexes: a vibrational spectroscopic study (en)
skos:notation
  • RIV/00216208:11310/11:10104233!RIV12-MSM-11310___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • I, S
http://linked.open...iv/cisloPeriodika
  • 42
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 190070
http://linked.open...ai/riv/idVysledku
  • RIV/00216208:11310/11:10104233
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • FT-IR; FT-Raman; charge transfer; natural bond orbital (NBO); density functional theory (DFT) (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [9F20080E44EB]
http://linked.open...i/riv/nazevZdroje
  • Journal of Raman Spectroscopy
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 2011
http://linked.open...iv/tvurceVysledku
  • Joe, I. Hubert
  • Kumari, M. Meena
  • Němec, Ivan
  • Ramachandra, Pillai Indu
  • Ravikumar, C.
http://linked.open...ain/vavai/riv/wos
  • 000291990300040
issn
  • 0377-0486
number of pages
http://bibframe.org/vocab/doi
  • 10.1002/jrs.2854
http://localhost/t...ganizacniJednotka
  • 11310
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