Trans and cis influences in hypervalent iodine(III) complexes: a DFT study.

Abstract

Trans and cis influences of various X ligands in two isomeric structures of acyclic hypervalent compound Ph[XI(OH)] and heterocyclic λ(3)-iodane Ph[(heterocycle)I(OH)] have been investigated on the basis of I-OH bond distance (d), electron density at I-OH bond critical point (ρ), I-OH stretching frequency (ν), and molecular electrostatic potential minimum… (More)
DOI: 10.1021/ic400399v

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