Potential energy surface of SOCl3-

被引：8

作者：

Bachrach, SM

Hayes, JM

Check, CE

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 | 2001年 / 105卷 / 41期

关键词：

D O I：

10.1021/jp012412f

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 monoxide anion (SOCl3-) is stable in the gas phase. The G2 estimate of the energy for its dissociation to thionyl chloride and chloride anion is 102.8 kJ mol(-1). The potential energy surface for the reaction SOCl2 + Cl- --> SOCl3- has just a single well corresponding to the product. Collision-induced dissociation observed using a flowing afterglow-tandem mass spectrometer indicates a D-0(SOCl2-Cl-) bond energy of 85.4 +/- 7.6 kJ mol(-1), which is very similar to the previously determined bond energy D-0(SCl2-Cl-) = 85 kJ mol(-1).

引用

页码：9595 / 9597

页数：3

共 34 条

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