Structure and vibrational spectra of iodo-, acetoxy- and thiocyanato-substituted acetylacetonates of boron difluoride

Journal of Molecular Structure(2019)

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摘要
Molecular and crystal structure of the complexes F2B(AcAcX) (X = I, OCOCH3, SCN) have been studied by XRD method. All the compounds manifest noticeable distortions of the chelate ring due to intermolecular interactions of fluorine atoms with atoms of the α-substituent as well as with carbon atoms of the chelate ring.
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关键词
Difluoroboron acetylacetonates,X-ray diffraction,IR and Raman spectra,DFT calculations,Frequency shift correlations,Intermolecular interactions
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