Chameleon states: High-valent metal-oxo species of cytochrome P450 and its ruthenium analogue

François Ogliaro; Samuand̈el P. De Visser; John T. Groves; Sason Shaik

doi:10.1002/1521-3773(20010803)40:15<2874::AID-ANIE2874>3.0.CO;2-9

Chameleon states: High-valent metal-oxo species of cytochrome P450 and its ruthenium analogue

François Ogliaro, Samuand̈el P. De Visser, John T. Groves, Sason Shaik

Research output: Contribution to journal › Article › peer-review

Abstract

Chameleon states: The ruthenium and iron metalloporphyrin analogues of compound I of cytochrome P450 (1; L = thiolate) possess low-lying states that change their electronic structure with solvent polarization. The ground state of the ruthenium complex is a low-spin electrophilic state, whereas the ground state of the iron complex is triradicaloid.

Original language	English
Pages (from-to)	2874-2878
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	40
Issue number	15
DOIs	https://doi.org/10.1002/1521-3773(20010803)40:15<2874::AID-ANIE2874>3.0.CO;2-9
Publication status	Published - 3 Aug 2001

Keywords

Cytochromes
Density functional calculations
Electronic structure
Metalloporphyrin
Ruthenium

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10.1002/1521-3773(20010803)40:15<2874::AID-ANIE2874>3.0.CO;2-9

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title = "Chameleon states: High-valent metal-oxo species of cytochrome P450 and its ruthenium analogue",

abstract = "Chameleon states: The ruthenium and iron metalloporphyrin analogues of compound I of cytochrome P450 (1; L = thiolate) possess low-lying states that change their electronic structure with solvent polarization. The ground state of the ruthenium complex is a low-spin electrophilic state, whereas the ground state of the iron complex is triradicaloid.",

keywords = "Cytochromes, Density functional calculations, Electronic structure, Metalloporphyrin, Ruthenium",

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T1 - Chameleon states: High-valent metal-oxo species of cytochrome P450 and its ruthenium analogue

AU - Ogliaro, François

AU - De Visser, Samuand̈el P.

AU - Groves, John T.

AU - Shaik, Sason

PY - 2001/8/3

Y1 - 2001/8/3

N2 - Chameleon states: The ruthenium and iron metalloporphyrin analogues of compound I of cytochrome P450 (1; L = thiolate) possess low-lying states that change their electronic structure with solvent polarization. The ground state of the ruthenium complex is a low-spin electrophilic state, whereas the ground state of the iron complex is triradicaloid.

AB - Chameleon states: The ruthenium and iron metalloporphyrin analogues of compound I of cytochrome P450 (1; L = thiolate) possess low-lying states that change their electronic structure with solvent polarization. The ground state of the ruthenium complex is a low-spin electrophilic state, whereas the ground state of the iron complex is triradicaloid.

KW - Cytochromes

KW - Density functional calculations

KW - Electronic structure

KW - Metalloporphyrin

KW - Ruthenium

U2 - 10.1002/1521-3773(20010803)40:15<2874::AID-ANIE2874>3.0.CO;2-9

DO - 10.1002/1521-3773(20010803)40:15<2874::AID-ANIE2874>3.0.CO;2-9

M3 - Article

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EP - 2878

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 15

ER -

Chameleon states: High-valent metal-oxo species of cytochrome P450 and its ruthenium analogue

Abstract

Keywords

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