Dissociative electron attachment to 2-chlorotoluene: Unusual temperature effects for the formation of Cl-

被引：3

作者：

Mahmoodi-Darian, Masoomeh ^{[1
]}

Denifl, Stephan ^{[2
]}

Probst, Michael ^{[2
]}

Huber, Stefan E. ^{[2
]}

Mauracher, Andreas ^{[2
]}

Scheier, Paul ^{[2
]}

Maerk, Tilmann D. ^{[2
]}

机构：

[1] Islamic Azad Univ, Dept Phys, Karaj Branch, Karaj, Iran

[2] Univ Innsbruck, Inst Ion Phys & Appl Phys, Technikerstr 25, A-6020 Innsbruck, Austria

来源：

CHEMICAL PHYSICS LETTERS | 2019年 / 730卷

基金：

奥地利科学基金会;

关键词：

Dissociative electron attachment; Temperature dependence; 2-Chlorotoluene; MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; PI-ASTERISK; BASIS-SETS; DEPENDENCE; CHLOROBENZENE; COMPETITION; ANIONS;

D O I：

10.1016/j.cplett.2019.06.057

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Dissociative electron attachment to 2-chlorotoluene has been studied experimentally. The formed Cl- fragment appears in the energy range from 0 to 2 eV. Increasing the temperature of the target molecule results in a decrease of the height of the threshold peak (similar to 0 eV) but in a considerable increase of the height of the second peak at 0.78 eV. Such behaviour was observed only rarely and does not occur in similar molecules. We have analysed the out-of-plane vibrations and calculated approximate potential energy curves for the neutral and anionic states. Possible explanations of the observed temperature dependence are discussed.

引用

页码：527 / 530

页数：4