✦ LIBER ✦

The methyleneammonium radical cation (CH2NH3+)

✍ Scribed by Brian F. Yates; Ross H. Nobes; Leo Radom

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 254 KB
Volume: 116
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)85197-6

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✦ Synopsis

Ab initio molecular-orbital calculations with large basis sets and incorporating electron correlation have been used to examine the structures and relative energies of the methylamine (CH3NH~) and methyleneammonium (CH2NH~-) radical cations. The results confirm our previous theoretical estimate of the heat of formation of the methyleneammonium radical cation of 835 kJ mol-1, substantially less than a recent experimental estimate of >/958 kJ mol-1.

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