Mass spectrometry of transition metal π-complexes. XV—The effect of substituents on the fragmentation of benchrotrenyls under electron impact

Mass spectrometry of heterocyclic compou

Mass spectrometry of heterocyclic compounds. XV—The mechanism of the fragmentation under electron impact of 3-p-NH2-phenyl-5-phenyl-1,2,4-oxadiazole. A CNDO/2 treatment

✍ A. Selva; P. Traldi; P. Fantucci 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 176 KB

## Abstract Molecular orbital calculations using the semi‐empirical CNDO/2 method were carried out on the molecular ion of 3‐__p__‐NH~2~‐phenyl‐5‐phenyl‐1,2,4‐oxadiazole, whose structure had been determined by X‐ray diffraction. The calculated diatomic interaction energy values are consistent with