Quantum chemical aspects of the chelate effect in complexes

✍ Scribed by Bernd M. Rode

• Book ID: 103015127
• Publisher: Elsevier Science
• Year: 1974
• Tongue: English
• Weight: 538 KB
• Volume: 26
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(74)89047-0

✦ Synopsis

A typi4 "chelate" effect is demonstrated by means of all-electron nb initio LCGO SCF c&xlations on the [Li(HCONHt)z ]+complcs in different geometrical arrangements. Energetic factors and the electronic structure of the compltxes are discussed. showing the chclate effect to be connected with striking changes in bonding, density distribution and electronic energy.