| Literature DB >> 20964378 |
Golam Rasul1, G K Surya Prakash, George A Olah.
Abstract
Triprotonated ethane (C(2)H(9)(3+)) 4 and tetraprotonated ethane (C(2)H(10)(4+)) 6 were found by ab initio MP2/cc-pVTZ calculations as viable energy minima. Their structure has three and four two-electron three-center (2e-3c) bonds, respectively. In contrast, calculations showed no minimum-energy structure on the potential energy surface of pentaprotonated ethane (C(2)H(11)(5+)). Charge-charge repulsion may approach its limit in this case. Sufficient stabilization of polycations by Schmidbaur-type auration with (C(6)H(5))(3)PAu, an isolobal analogue of H(+), should be possible for the preparation of the polyaurate derivatives of poly protonated ethane allowing their structural study.Entities:
Year: 2010 PMID: 20964378 DOI: 10.1021/jp108820r
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781