title: Thermally persistent carbonyl nitrene: FC(O)N.
abstract: Transient carbonyl nitrenes RC(O)N, formed during thermal- or photoinduced decomposition of carbonyl azides RC(O)N3, are highly liable to the Curtius rearrangement, producing isocyanates RNCO in almost quantitative yield. Contrary to common belief, we found a thermally persistent triplet carbonyl nitrene, FC(O)N, that can be produced by flash pyrolysis of FC(O)N3 in 49% yield. The computed CBS-QB3 activation barrier for the thermal decomposition of FC(O)N3 to FC(O)N is 29 kJ mol(-1) lower than that for a concerted pathway producing FNCO.
authors.affiliation: College of Chemistry, Chemical Engineering and Materials Science, Soochow University , Jiangsu 215123, China.
authors.forename: Hailong
authors.initials: H
authors.lastname: Sun
authors.forename: Bifeng
authors.initials: B
authors.lastname: Zhu
authors.forename: Zhuang
authors.initials: Z
authors.lastname: Wu
authors.forename: Xiaoqing
authors.initials: X
authors.lastname: Zeng
authors.forename: Helmut
authors.initials: H
authors.lastname: Beckers
authors.forename: William S
authors.initials: WS
authors.lastname: Jenks