Effects of electron correlation and spin projection on rotational barriers of trithiocarbenium ion [C(SH)3]+ and Radical Dication [C(SH)3]?,2+

✍ Scribed by Glaser, Rainer; Chen, Grace Shiahuy; Gr�tzmacher, Hansj�rg

• Publisher: John Wiley and Sons
• Year: 1997
• Tongue: English
• Weight: 389 KB
• Volume: 18
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/(sici)1096-987x(199706)18:8<1023::aid-jcc6>3.0.co;2-v

✦ Synopsis

Theoretical level dependencies are discussed of relative isomer w Ž . x q Ž . stabilities and rotational barriers of trithiomethyl cation C SH a and of 3 w Ž .x ؒ, 2q Ž . radical dication C SH b . Spin polarization and dynamic electron