Heat of formation of boron hydride B{sub 60}H{sub 60}, an analog of fullerene C{sub 60}: The structural-thermochemical model
Journal Article
·
· Russian Journal of Coordination Chemistry
OSTI ID:244088
- Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation)
The heat of the formation of hypothetical highest boron hydride B{sub 60}H{sub 60} is calculated within the framework of the structural-thermochemical model used earlier for estimation of the heat of formation of fullerenes. Its value of 6511{+-}100 kJ/mol is significantly higher than the heat of formation (2280 kJ/mol) of an isothermic analog of B{sub 60}H{sub 60} (fullerene C{sub 60}). The energies per one C atom in fullerene C{sub 60} and per one BH fragment in B{sub 60}H{sub 60} {r_arrow} 5B{sub 12}H{sub 12} (-6280.5 kJ/mol) corresponds to a strongly exothermic process, which indicates possible difficulties that may be encountered in the experimental isolation of boron hydride B{sub 60}H{sub 60}.
- OSTI ID:
- 244088
- Journal Information:
- Russian Journal of Coordination Chemistry, Journal Name: Russian Journal of Coordination Chemistry Journal Issue: 12 Vol. 21; ISSN RJCCEY
- Country of Publication:
- United States
- Language:
- English
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