Publication Type : Journal Article
Publisher : ACS Publications
Source : J. Am. Chem. Soc.
Url : https://pubs.acs.org/doi/full/10.1021/ja212055x
Campus : Amritapuri
School : School of Physical Sciences
Department : Chemistry
Year : 2012
Abstract : The effect of removing two protons, hydrogen atoms, or hydrides from the stable icosahedral B12H122– is investigated theoretically. The resulting B12H10q (q = 4–, 2–, 0) isomers show interesting and understandable bond distance and stability variations, as well as special deformations associated with the apex-ring configuration typical of the underlying polyhedron. The dianions are analogous to o-, m-, and p-benzyne and have the special feature of distinct singlet and triplet states not far removed from each other in energy.
Cite this Research Publication : Pancharatna, P. D.; Balakrishnarajan, M. M.; Jemmis, E. D.; Hoffmann, R. , Polyhedral Borane Analogues of the Benzynes and Beyond: Bonding in Variously Charged B12H10 Isomers , J. Am. Chem. Soc. ,2012 .