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- W2351387031 abstract "In this paper,1,4-naphthoquinone was studied by terahertz time-domain spectroscopy,far-infrared absorption spectrum and low-frequency Raman scattering.THz absorption spectra and far-infrared spectrum of 1,4-naphthoquinone are obtained absorption peaks which is basically the same at 1.75 THz(58.3 cm-1) / 1.63 THz(54.3 cm-1),the two are mutually supporting and complement the results.Comparison of the terahertz,far-infrared absorption spectra and low-frequency Raman scattering spectra shows that the selection mechanism of two different spectra at 1.04,1.72 and 4.59 THz,etc.,which are largely overlapping peaks.Combination of the irreducible representation of group theory analysis indicates that the sample in the low-frequency band have Raman active and infrared active vibration properties(A1,B1 or B2).Using density functional theory B3LYP function and the basis sets 6-311 of Gaussian03 software,we have simulated infrared and Raman spectra of single molecules.combining with Experimental analysis,we give vibrational mode of identification about some molecular or atomic groups." @default.
- W2351387031 created "2016-06-24" @default.
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- W2351387031 date "2010-01-01" @default.
- W2351387031 modified "2023-09-28" @default.
- W2351387031 title "Study of Far-infrared and Low-frequency Raman Spectroscopy on 1,4-Naphthoquinone" @default.
- W2351387031 hasPublicationYear "2010" @default.
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