Literature DB >> 20964378

Tri- and tetraprotonated ethane (C2H9(3+) and C2H10(4+)) containing five- and six-coordinate carbons.

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


  1 in total

1.  Ab initio calculations of ionic hydrocarbon compounds with heptacoordinate carbon.

Authors:  George Wang; A K Fazlur Rahman; Bin Wang
Journal:  J Mol Model       Date:  2018-04-25       Impact factor: 1.810

  1 in total

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