Spin-coupled description of the chemical bonding to hypercoordinate chlorine
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- Cooper, D. Theor Chem Acc (2001) 105: 323. doi:10.1007/PL00013292
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Modern valence bond theory, in its spin-coupled form, is used to investigate the nature of the bonding in hypercoordinate chlorine fluorides. In each of ClF+2, ClF3, ClF+4, ClF5 and ClF3O the description that emerges is of very polar two-centre two-electron bonds. The orbital picture is fairly transferable from one system to another: the differences between “normal octet” and hypercoordinate species, or between cations and neutrals, are relatively small.