Potential energy surface of SCl3-

被引：19

作者：

Gailbreath, BD

Pommerening, CA

Bachrach, SM ^{[1
]}

Sunderlin, LS

机构：

[1] Trinity Univ, Dept Chem, San Antonio, TX 78212 USA

[2] No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2000年 / 104卷 / 13期

关键词：

D O I：

10.1021/jp993671w

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：

Sulfur trichloride anion is stable in the gas phase. Computational results at the GZ level indicate that SCl3- lies 99.0 kJ/mol below the dissociation products, dichlorosulfide and chloride anion, on a single-well potential energy surface. The anion has a T shape, with axial S-Cl bond lengths of 2.383 Angstrom and an equatorial S-Cl bond length of 2.068 . Collision-induced dissociation results obtained using a flowing afterglow-tandem mass spectrometer give a D-O(SCl2-Cl-) bond energy of 85 +/- 8 kJ/mol.

引用

页码：2958 / 2961

页数：4

共 37 条

[31] Statistical modeling of collision-induced dissociation thresholds [J].