Super-high energy-rich nitrogen cluster N60

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Journal titleChemical Physics Letters
Pages698703; # of pages: 6
AbstractThe geometric structures and properties of high-energy density of nitrogen cluster N60 were studied theoretically. Stable N60 forms concave cage, different from that of fullerene, of S6 symmetry with 12 concave atoms at the HF/6-31G* level. The B3LYP/6-31G* level result shows that the cage-shaped complex is formed by six chain-shaped N10. The result suggests that N60 could dissociate into six N10 or, maybe, it can be synthesized by six chain-shaped N10 clusters. We calculated that N60 releases 1622.9 kcal/mol (B3LYP/6-31G* level) of energy by dissociating into 30 nitrogen molecules.
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AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
NPARC number12327301
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Record identifier4c0b4001-f532-4945-b072-f2c55ecd4f95
Record created2009-09-10
Record modified2016-05-09
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