Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene

Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene

The aromatic/antiaromatic behavior of the cyclopentadienyl anion (Cp-), bis(η5-cyclopentadienyl)iron(II) (Fe(Cp)2), as well as of the Jahn-Teller (JT) active cyclopentadienyl radical (Cp∙) and bis(η5-cyclopentadienyl)cobalt(II) (Co(Cp)2) has been investigated using Density Functional The...

Full description

Bibliographic Details
Main Authors: Anđelković Ljubica, Perić Marko, Zlatar Matija, Gruden-Pavlović Maja
Format: Article
Language:English
Published: Serbian Chemical Society 2015-01-01
Series:Journal of the Serbian Chemical Society
Subjects:
vibronic coupling
DFT
aromaticity
metallocene
Online Access:http://www.doiserbia.nb.rs/img/doi/0352-5139/2015/0352-51391500025A.pdf

Internet

http://www.doiserbia.nb.rs/img/doi/0352-5139/2015/0352-51391500025A.pdf

Similar Items