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The CH 3 CH 2 N: Diradical: Generation Conditions and Determination of its Ionization Energies
Author(s) -
Yang Xiaojun,
Sun Zheng,
Ge Maofa,
Zheng Shijun,
Meng Lingpeng,
Wang Dianxun
Publication year - 2002
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/1439-7641(20021115)3:11<963::aid-cphc963>3.0.co;2-q
Subject(s) - diradical , ionic bonding , molecular sieve , chemistry , pyrolysis , ionization , ionization energy , photochemistry , ion , catalysis , computational chemistry , chemical physics , atomic physics , organic chemistry , physics , singlet state , excited state
We found new pyrolysis conditions for the generation of short‐lived radicals. Among these conditions, a molecular sieve is the most important prerequisite, because as a pyrolysis catalyst it effectively reduces the pyrolysis temperature. In the presence of a 20 Å molecular sieve and stabilizing NO gas, a CH 3 CH 2 N diradical beam with continuous flow has been generated by pyrolysis of CH 3 CH 2 N 3 at 135±0.5 °C. The HeI photoelectron spectrum of the diradical was recorded in situ. The ionization energies determined experimentally and by G2 and DFT calculations correspond to different ionic states of the CH 3 CH 2 N + cation. The results indicate that CH 3 CH 2 N is a diradical of a 3 A″ ground state with C s symmetry.