A multifrequency high-field EPR (9-285 GHz) investigation of a series of dichloride mononuclear penta-coordinated Mn(II) complexes

Carole Duboc; Vincent Astier-Perret; Hongyu Chen; Jacques Pécaut; Robert H. Crabtree; Gary W. Brudvig; Marie Noëlle Collomb

doi:10.1016/j.ica.2005.10.027

A multifrequency high-field EPR (9-285 GHz) investigation of a series of dichloride mononuclear penta-coordinated Mn(II) complexes

Carole Duboc, Vincent Astier-Perret, Hongyu Chen, Jacques Pécaut, Robert H. Crabtree, Gary W. Brudvig, Marie Noëlle Collomb

Yale University

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

34 Citations (Scopus)

Abstract

The electronic structure of a series of 11 penta-coordinated dichloride mononuclear Mn(II) complexes [Mn(L)Cl₂] (L = Cl-terpy, Br-terpy, OH-terpy, phenyl-terpy, tolyl-terpy, mesityl-terpy, EtO-terpy, Me ₂N-terpy, tBu₃-terpy, py-phen, and dpya) has been investigated by a multifrequency EPR study (9-285 GHz). The X-ray structures of [Mn(Br-terpy)Cl₂], [Mn(EtO-terpy)Cl₂], [Mn(Me ₂N-terpy)Cl₂] and [Mn(tolyl-terpy)Cl₂] are described. The spin Hamiltonian parameters have been determined for all complexes and show that the steric and electronic effects of the N-tridentate ligand L do not induce appreciable variations on the zero field splitting parameters. The magnitude of D, close to 0.3 cm^-1, is governed by the chloride anion. High-field EPR spectroscopy allows the determination of electronic parameters of mononuclear Mn(II) complexes characterized by relatively large magnitudes of D and the unambiguous interpretation of the X-band spectra of these kinds of complexes.

Original language	English
Pages (from-to)	1541-1548
Number of pages	8
Journal	Inorganica Chimica Acta
Volume	359
Issue number	5
DOIs	https://doi.org/10.1016/j.ica.2005.10.027
Publication status	Published - Mar 20 2006

Keywords

Electronic properties
High field EPR
Mononuclear dichloro-manganese(II) complex
Multifrequency EPR spectroscopy
N-Tridentate ligand

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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A multifrequency high-field EPR (9-285 GHz) investigation of a series of dichloride mononuclear penta-coordinated Mn(II) complexes. / Duboc, Carole; Astier-Perret, Vincent; Chen, Hongyu; Pécaut, Jacques; Crabtree, Robert H.; Brudvig, Gary W.; Collomb, Marie Noëlle.

In: Inorganica Chimica Acta, Vol. 359, No. 5, 20.03.2006, p. 1541-1548.

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

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title = "A multifrequency high-field EPR (9-285 GHz) investigation of a series of dichloride mononuclear penta-coordinated Mn(II) complexes",

abstract = "The electronic structure of a series of 11 penta-coordinated dichloride mononuclear Mn(II) complexes [Mn(L)Cl2] (L = Cl-terpy, Br-terpy, OH-terpy, phenyl-terpy, tolyl-terpy, mesityl-terpy, EtO-terpy, Me 2N-terpy, tBu3-terpy, py-phen, and dpya) has been investigated by a multifrequency EPR study (9-285 GHz). The X-ray structures of [Mn(Br-terpy)Cl2], [Mn(EtO-terpy)Cl2], [Mn(Me 2N-terpy)Cl2] and [Mn(tolyl-terpy)Cl2] are described. The spin Hamiltonian parameters have been determined for all complexes and show that the steric and electronic effects of the N-tridentate ligand L do not induce appreciable variations on the zero field splitting parameters. The magnitude of D, close to 0.3 cm-1, is governed by the chloride anion. High-field EPR spectroscopy allows the determination of electronic parameters of mononuclear Mn(II) complexes characterized by relatively large magnitudes of D and the unambiguous interpretation of the X-band spectra of these kinds of complexes.",

keywords = "Electronic properties, High field EPR, Mononuclear dichloro-manganese(II) complex, Multifrequency EPR spectroscopy, N-Tridentate ligand",

author = "Carole Duboc and Vincent Astier-Perret and Hongyu Chen and Jacques P{\'e}caut and Crabtree, {Robert H.} and Brudvig, {Gary W.} and Collomb, {Marie No{\"e}lle}",

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AU - Duboc, Carole

AU - Astier-Perret, Vincent

AU - Chen, Hongyu

AU - Pécaut, Jacques

AU - Crabtree, Robert H.

AU - Brudvig, Gary W.

AU - Collomb, Marie Noëlle

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AB - The electronic structure of a series of 11 penta-coordinated dichloride mononuclear Mn(II) complexes [Mn(L)Cl2] (L = Cl-terpy, Br-terpy, OH-terpy, phenyl-terpy, tolyl-terpy, mesityl-terpy, EtO-terpy, Me 2N-terpy, tBu3-terpy, py-phen, and dpya) has been investigated by a multifrequency EPR study (9-285 GHz). The X-ray structures of [Mn(Br-terpy)Cl2], [Mn(EtO-terpy)Cl2], [Mn(Me 2N-terpy)Cl2] and [Mn(tolyl-terpy)Cl2] are described. The spin Hamiltonian parameters have been determined for all complexes and show that the steric and electronic effects of the N-tridentate ligand L do not induce appreciable variations on the zero field splitting parameters. The magnitude of D, close to 0.3 cm-1, is governed by the chloride anion. High-field EPR spectroscopy allows the determination of electronic parameters of mononuclear Mn(II) complexes characterized by relatively large magnitudes of D and the unambiguous interpretation of the X-band spectra of these kinds of complexes.

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