Vibrational Spectra of Xanthione and Xan
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H.K. Sinha; L. Chantranupong; R.P. Steer
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Article
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1995
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Elsevier Science
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English
β 524 KB
The fundamental vibrational frequencies of xanthione (XT) and xanthone (XN), two structurally similar heteroaromatic molecules. have been obtained experimentally using FTIR and Raman spectroscopy. Ab initio RHF/STO-3G** and RHF/CEP-31G and semiempirical RHF/ AMI and RHF/PM3 molecular orbital calcula