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Published May 4, 2017 | Supplemental Material
Journal Article Open

Identifying the Hydrogenated Planar Tetracoordinate Carbon: A Combined Experimental and Theoretical Study of CAl_4H and CAl_4H‾

Abstract

The chemical curiosity "planar tetracoordinate carbon" (ptC) has greatly broadened one's knowledge of molecular bonding motifs apart from the traditional, tetrahedral, van't Hoff and LeBel's concept. Synthesized ptC examples have been reported either in solid state or in the gas phase, where the ptC core is usually metalized or organometallized. Surprisingly, there has been no experimental report on hydrogenated ptC to date. A possible answer to this situation could be the "promiscuity" of hydrogen when binding to other elements, which frustrates the formation of stable ptC that is in competition with other structures. In this paper, we for the first time identified two hydrogenated ptC species, CAl_4H and CAl_4H-, based on a photoelectron spectroscopic and quantum chemical study. The favorable site-selectivity of hydrogen was shown to be the bridge of Al-Al bond rather than the terminus of Al, manifesting the thermodynamic preference of 17e/18e counting rule over the 15e/16e rule.

Additional Information

© 2017 American Chemical Society. Received: March 27, 2017; Accepted: May 4, 2017; Published: May 4, 2017. The theoretical work was supported by the National Natural Science Foundation of China (No. 21273093, 21473069, 21073074) (Y.-h.D.). This material is based upon work supported by the Air Force Office of Scientific Research (AFOSR), under Grant No. FA9550-15-1-0259 (K.H.B.). The authors declare no competing financial interests.

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