Direct measurement of the high-spin and low-spin bond lengths and the spin state population in mixed spin state systems: An Fe K-edge XAFS study of iron(III) dithiocarbamate complexes

Catherine M. McGrath; Charles J. O'Connor; Claudio Sangregorio; Jon M W Seddon; Ekk Sinn; Frank E. Sowrey; Nigel A. Young

Direct measurement of the high-spin and low-spin bond lengths and the spin state population in mixed spin state systems: An Fe K-edge XAFS study of iron(III) dithiocarbamate complexes

Catherine M. McGrath, Charles J. O'Connor, Claudio Sangregorio, Jon M W Seddon, Ekk Sinn, Frank E. Sowrey, Nigel A. Young^*

^*Corresponding author for this work

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

15 Citations (Scopus)

Abstract

A combination of Fe K-edge XAFS and advanced data analysis methods has been used to determine the Fe-S distances and spin state population in iron(III) dithiocarbamate spin crossover complexes. This new approach allows for the first direct determination of Fe-S bond lengths (2.44(2) Å high-spin, 2.30(2) Å low-spin) for both spin state isomers in mixed spin systems in contrast to single crystal X-ray crystallographic determinations where only the weighted average of the HS and LS values is observed. The agreement between XAFS and magnetic susceptibility derived values of the spin state populations is very good.

Original language	English
Pages (from-to)	536-539
Number of pages	4
Journal	Inorganic Chemistry Communications
Volume	2
Issue number	11
Publication status	Published - 1 Nov 1999
Externally published	Yes

Keywords

Dithiocarbamate complexes
Iron complexes
Spin crossover
X-ray absorption spectroscopy
XAFS

ASJC Scopus subject areas

Biochemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Materials Chemistry

Cite this

@article{99f0d7b0e67c42d0a590e74150757ae2,

title = "Direct measurement of the high-spin and low-spin bond lengths and the spin state population in mixed spin state systems: An Fe K-edge XAFS study of iron(III) dithiocarbamate complexes",

abstract = "A combination of Fe K-edge XAFS and advanced data analysis methods has been used to determine the Fe-S distances and spin state population in iron(III) dithiocarbamate spin crossover complexes. This new approach allows for the first direct determination of Fe-S bond lengths (2.44(2) {\AA} high-spin, 2.30(2) {\AA} low-spin) for both spin state isomers in mixed spin systems in contrast to single crystal X-ray crystallographic determinations where only the weighted average of the HS and LS values is observed. The agreement between XAFS and magnetic susceptibility derived values of the spin state populations is very good.",

keywords = "Dithiocarbamate complexes, Iron complexes, Spin crossover, X-ray absorption spectroscopy, XAFS",

author = "McGrath, {Catherine M.} and O'Connor, {Charles J.} and Claudio Sangregorio and Seddon, {Jon M W} and Ekk Sinn and Sowrey, {Frank E.} and Young, {Nigel A.}",

year = "1999",

month = nov,

day = "1",

language = "English",

volume = "2",

pages = "536--539",

journal = "Inorganic Chemistry Communications",

issn = "1387-7003",

publisher = "Elsevier",

number = "11",

}

Direct measurement of the high-spin and low-spin bond lengths and the spin state population in mixed spin state systems: An Fe K-edge XAFS study of iron(III) dithiocarbamate complexes. / McGrath, Catherine M.; O'Connor, Charles J.; Sangregorio, Claudio et al.
In: Inorganic Chemistry Communications, Vol. 2, No. 11, 01.11.1999, p. 536-539.

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

TY - JOUR

T1 - Direct measurement of the high-spin and low-spin bond lengths and the spin state population in mixed spin state systems

T2 - An Fe K-edge XAFS study of iron(III) dithiocarbamate complexes

AU - McGrath, Catherine M.

AU - O'Connor, Charles J.

AU - Sangregorio, Claudio

AU - Seddon, Jon M W

AU - Sinn, Ekk

AU - Sowrey, Frank E.

AU - Young, Nigel A.

PY - 1999/11/1

Y1 - 1999/11/1

N2 - A combination of Fe K-edge XAFS and advanced data analysis methods has been used to determine the Fe-S distances and spin state population in iron(III) dithiocarbamate spin crossover complexes. This new approach allows for the first direct determination of Fe-S bond lengths (2.44(2) Å high-spin, 2.30(2) Å low-spin) for both spin state isomers in mixed spin systems in contrast to single crystal X-ray crystallographic determinations where only the weighted average of the HS and LS values is observed. The agreement between XAFS and magnetic susceptibility derived values of the spin state populations is very good.

AB - A combination of Fe K-edge XAFS and advanced data analysis methods has been used to determine the Fe-S distances and spin state population in iron(III) dithiocarbamate spin crossover complexes. This new approach allows for the first direct determination of Fe-S bond lengths (2.44(2) Å high-spin, 2.30(2) Å low-spin) for both spin state isomers in mixed spin systems in contrast to single crystal X-ray crystallographic determinations where only the weighted average of the HS and LS values is observed. The agreement between XAFS and magnetic susceptibility derived values of the spin state populations is very good.

KW - Dithiocarbamate complexes

KW - Iron complexes

KW - Spin crossover

KW - X-ray absorption spectroscopy

KW - XAFS

UR - http://www.scopus.com/inward/record.url?scp=0033263153&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0033263153

SN - 1387-7003

VL - 2

SP - 536

EP - 539

JO - Inorganic Chemistry Communications

JF - Inorganic Chemistry Communications

IS - 11

ER -

Direct measurement of the high-spin and low-spin bond lengths and the spin state population in mixed spin state systems: An Fe K-edge XAFS study of iron(III) dithiocarbamate complexes

Abstract

Keywords

ASJC Scopus subject areas

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