Ontology highlight
ABSTRACT:
SUBMITTER: Olah GA
PROVIDER: S-EPMC3344979 | biostudies-literature | 2012 May
REPOSITORIES: biostudies-literature
Olah George A GA Surya Prakash G K GK Rasul Golam G
Proceedings of the National Academy of Sciences of the United States of America 20120417 18
Structures of octahydriodo diborane (B(2)H(8)) 1 and its protonated 3, diprotonated 5, triprotonated 6, and tetraprotonated 7 ions were found to be calculationally viable minima at the MP2/cc-pVTZ level of theory. Each structure contains two-electron three-center (2e-3c) bonds. The protonation of 1 to form 3 was found to be strongly exothermic by 176.0 kcal/mol. Subsequent protonation of 3 to form 5 was also found to be exothermic by 28.4 kcal/mol. Further protonation of 5 to form 6 was, however ...[more]