Analysis of One-Bond Se-Se Nuclear Couplings in Diselenides and 1,2-Diselenoles on the Basis of Molecular Orbital Theory: Torsional Angular Dependence, Electron Density Influence, and Origin in (1) J(Se, Se)

Nuclear couplings for the Se-Se bonds, (1) J(Se, Se), are analyzed on the basis of the molecular orbital (MO) theory. The values are calculated by employing the triple ζ basis sets of the Slater type at the DFT level. (1) J(Se, Se) are calculated modeled by MeSeSeMe (1a), which shows the typical tor...

Full description

Saved in:
Bibliographic Details
Main Authors: Tanioku, Akito, Hayashi, Satoko, Nakanishi, Waro
Format: Artigo
Language:Inglês
Published: Hindawi Publishing Corporation 2009
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2723728/
https://ncbi.nlm.nih.gov/pubmed/19680451
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2009/381925
Tags: Add Tag
No Tags, Be the first to tag this record!

Similar Items