The Fragmentation of Melamine: A Study via Electron-Impact Ionization, Laser-Desorption Ionization, Collision-Induced Dissociation, and Density Functional Calculations of Potential Energy Surface
Author(s) -
Shan-Shan Ju,
ChauChung Han,
Chung-Jen Wu,
Alexander M. Mebel,
YitTsong Chen
Publication year - 1998
Publication title -
the journal of physical chemistry b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.864
H-Index - 392
eISSN - 1520-6106
pISSN - 1520-5207
DOI - 10.1021/jp983347l
Subject(s) - dissociation (chemistry) , electron ionization , chemistry , ionization , excited state , melamine , ion , density functional theory , fragmentation (computing) , molecule , protonation , collision induced dissociation , desorption , double ionization , photochemistry , atomic physics , mass spectrometry , analytical chemistry (journal) , tandem mass spectrometry , computational chemistry , physics , organic chemistry , chromatography , adsorption , computer science , operating system
We have studied the fragmentation of the melamine (2,4,6-triamino-s-triazine) molecule and its deuterated counterparts via electron impact ionization (EI), laser desorption ionization (LDI), and collision-induced dissociation (CID). Our EI and LDI measurements show that the dissociation of melamine is different from the concerted triple dissociation pathway of s-triazine. In EI experiments, the protonated and parent melamine ion (m/z = 127 (C3N6H7+) and 126 (C3N6H6+)) were formed initially with 20 and 70 eV electron bombardment. Other fragment ions, such as m/z = 43 (CN2H3+), 53 (C2N2H+), 56 (CN3H2+), 68 (C2N3H2+), 83 (C2N4H3+), 85 (C2N4H5+), 99 (C2N5H5+), 110 (C3N5H4+), etc., were subsequently formed from the decomposition of metastable melamine ions. This speculation was supported by our additional CID measurements. On the other hand, in the LDI experiments the melamine molecule was pumped to 11A‘ ‘ and 21A‘ excited electronic states, respectively, with 266 and 193 nm lasers. In view of the same fragmen...
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