Group Electronegativities: as Empirically Estimated from Geometrical and Vibrational Data on Sulphones
István Hargittai
Abstract
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István Hargittai
Abstract
Open-access reader
Abstract The S=O bond lengths and the S=O bond stretching frequencies characteristically change with changing ligand electronegativities in the XSO2Y sulphone series. Empirical relationships have been established between the S=0 bond length and the sum of the ligand electronegativities (χX+ χY) and also between the mean stretching frequency and (χX + χY)-These relationships may be used for estimating group electronegativities from geometrical and vibrational data or to predict bond lengths, bond angles and stretching frequencies from ligand electro-negativities.
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Abstract The S=O bond lengths and the S=O bond stretching frequencies characteristically change with changing ligand electronegativities in the XSO2Y sulphone series. Empirical relationships have been established between the S=0 bond length and the sum of the ligand electronegativities (χX+ χY) and also between the mean stretching frequency and (χX + χY)-These relationships may be used for estimating group electronegativities from geometrical and vibrational data or to predict bond lengths, bond angles and stretching frequencies from ligand electro-negativities.
Key concepts: Electronegativity, Bond length, Ligand (biochemistry), Group (periodic table), Chemistry, Bond, Computational chemistry, Chemical bond