Abstract
Study of several X-ray and neutron diffraction crystal structures of aryl phosphine hydride complexes shows that abnormally close CH…HM contacts (1.6–2.1 Å) commonly occur between the arene CH bonds and the hydride. The data suggest that weak CH…HM hydrogen bonds are involved, resembling those we have previously characterized for the NH…HN case. Based on these results, a new mechanism is suggested for cyclometallation.
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