American Chemical Society
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Synthesis and Structural Characterization of the New hypho-Carborane Clusters endo-7-[Ph2(H)P]-8-R-hypho-7,8-C2B6H11 with Ylide-Like Cage Carbons

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journal contribution
posted on 2004-02-16, 00:00 authored by Daewon Hong, Patrick J. Carroll, Larry G. Sneddon
The new hypho-class carboranes endo-7-[Ph2(H)P]-8-R-hypho-7,8-C2B6H11 (R = H, Me) were prepared from the reactions of Na+[arachno-4,6-C2B7H12]- and Na+[4-Me-arachno-4,6-C2B7H11]- with Ph2PCl. Single-crystal X-ray crystallographic determinations and DFT/GIAO computational studies established that while the endo-7-[Ph2(H)P]-8-R-hypho-7,8-C2B6H11 cages (R = H, Me) have frameworks that are consistent with those which have been adopted by other isoelectronic eight-vertex hypho clusters, the cage carbon having the Ph2(H)P substituent exhibits a shortened phosphorus−carbon bond, suggesting an ylide-like character.