Abstract
An attempt has been made to modify the UBFF for SF4 by taking into account the presence of the lone pair of electrons. It has been found that the bond pair – lone pair interactions become of importance only when the angle between the bond pair and the lone pair approaches 90°. The equatorial S—F stretching force constant (4.0146 mdyn/Å) is greater than the axial stretching force constant (3.6237 mdyn/Å), which is consistent with the form of the relationship between the force constant and bond length.
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