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- W2367417856 abstract "Temperature dependent Raman spectra of the nonlinear optical crystal,CsLiB6O10(CLBO) and its melt were recorded by in situ high temperature Raman spectroscopic technique.The vibrational modes of the CLBO crystal with(B3O7)5-ring as basic unit were simulated and assigned by density functional theory(DFT) method.As the temperature increasing,nearly all of the peaks of CLBO crystal broadened and decreased in wavenumber,without phase transition.An isomerization reaction from tetrahedron to triangle occurred during the melting process,that is,(B3O7)5-in CLBO crystal structure translated into(B3O6)3-groups in CLBO melt.The spectroscopy characteristics of the Raman spectrum of structure unit in melt were caculated by quantum chemistry ab initio.It can be concluded that there exists super ring structure which contains four(B3O6)3-rings connected by each other,which agreed well with the experimental result." @default.
- W2367417856 created "2016-06-24" @default.
- W2367417856 creator A5085869335 @default.
- W2367417856 date "2013-01-01" @default.
- W2367417856 modified "2023-09-24" @default.
- W2367417856 title "High Temperature Raman Spectroscopic Study on the Micro-structures of CsLiB_6O_(10) Crystal and Its Melt" @default.
- W2367417856 hasPublicationYear "2013" @default.
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