Quantum chemical explanation of the “hyper” spectrum of the carbon monoxide complex of cytochrome P-450

✍ Scribed by Christiane Jung

• Book ID: 103025596
• Publisher: Elsevier Science
• Year: 1985
• Tongue: English
• Weight: 532 KB
• Volume: 113
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(85)85038-7

✦ Synopsis

in final form 7 Septemter 1984 n INDO CI calculations For the carbon monoxide complex of cytochmme PA50 show that the "hype?' spectrum is produced by strong interaction between the UV and the Soret bands This interaction depends on the sulfur l&and charge and on the iron-sulfur distance. The "hype? spectrum can only be explained assuming a partial negative sulfur charge less than "-0.6".