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“Half‐Bonds” in an Unusual Coordinated S42− Rectangle |
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| Authors: | Anne Poduska Dr. Roald Hoffmann Prof. Andrea Ienco Dr. Carlo Mealli Dr. |
| Affiliation: | 1. Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14850 (USA), Fax: (+1)?607‐255‐5707;2. Istituto di Chimica dei Composti Organometallici, ICCOM‐CNR, Via Madonna del Piano 10, 50019 Sesto Fiorentino, Firenze (Italy) |
| Abstract: | Don′t be square! A rare S42? rectangle bridging two M2Cp2(μ2‐CH2)2 (M=Rh, Ir) fragments is found to contain two “half‐bonds” with S? S distances of 2.70 or 2.90 Å. Computational studies explore the connection between these “half‐bonds” and a Jahn–Teller distortion, as well as possible intermediates that form M4S42+ clusters having the S42? rectangle rotated by 90°.  |
| Keywords: | half‐bonds Jahn– Teller distortion quantum chemistry sulfur bonding transition metal |