Bonding in Nitrosylated Iron-Sulfur Clusters

Shen Shu Sung; Anthony R. Butler; Christopher Glidewell; Roald Hoffmann

doi:10.1021/ic00217a030

Bonding in Nitrosylated Iron-Sulfur Clusters

Shen Shu Sung, Anthony R. Butler, Christopher Glidewell, Roald Hoffmann

Department of Pharmacology

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

42 Scopus citations

Abstract

The electronic structure of several binuclear and tetranuclear Fe clusters with bridging S or SH units and terminal nitrosyl ligands is analyzed. The computations point to the antibonding nature of the lowest unoccupied orbitals of these molecules, indicative of potential disruption of the clusters on reduction.

Original language	English (US)
Pages (from-to)	3856-3859
Number of pages	4
Journal	Inorganic chemistry
Volume	24
Issue number	23
DOIs	https://doi.org/10.1021/ic00217a030
State	Published - Nov 1 1985

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/ic00217a030

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title = "Bonding in Nitrosylated Iron-Sulfur Clusters",

abstract = "The electronic structure of several binuclear and tetranuclear Fe clusters with bridging S or SH units and terminal nitrosyl ligands is analyzed. The computations point to the antibonding nature of the lowest unoccupied orbitals of these molecules, indicative of potential disruption of the clusters on reduction.",

author = "Sung, {Shen Shu} and Butler, {Anthony R.} and Christopher Glidewell and Roald Hoffmann",

year = "1985",

month = nov,

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doi = "10.1021/ic00217a030",

language = "English (US)",

volume = "24",

pages = "3856--3859",

journal = "Inorganic chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

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T1 - Bonding in Nitrosylated Iron-Sulfur Clusters

AU - Sung, Shen Shu

AU - Butler, Anthony R.

AU - Glidewell, Christopher

AU - Hoffmann, Roald

PY - 1985/11/1

Y1 - 1985/11/1

N2 - The electronic structure of several binuclear and tetranuclear Fe clusters with bridging S or SH units and terminal nitrosyl ligands is analyzed. The computations point to the antibonding nature of the lowest unoccupied orbitals of these molecules, indicative of potential disruption of the clusters on reduction.

AB - The electronic structure of several binuclear and tetranuclear Fe clusters with bridging S or SH units and terminal nitrosyl ligands is analyzed. The computations point to the antibonding nature of the lowest unoccupied orbitals of these molecules, indicative of potential disruption of the clusters on reduction.

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U2 - 10.1021/ic00217a030

DO - 10.1021/ic00217a030

M3 - Article

AN - SCOPUS:0000488069

SN - 0020-1669

VL - 24

SP - 3856

EP - 3859

JO - Inorganic chemistry

JF - Inorganic chemistry

IS - 23

ER -

Bonding in Nitrosylated Iron-Sulfur Clusters

Abstract

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