Molecular and crystal structures of Cp*M(S2N2) (M = Co, Rh, Ir) and related compounds

Vit Matuska; Karla Tersago; Petr Kilian; Christian Van Alsenoy; Frank Blockhuys; Alexandra Martha Zoya Slawin; J Derek Woollins

doi:10.1002/ejic.200900541

Molecular and crystal structures of Cp*M(S₂N₂) (M = Co, Rh, Ir) and related compounds

Vit Matuska, Karla Tersago, Petr Kilian, Christian Van Alsenoy, Frank Blockhuys, Alexandra Martha Zoya Slawin, J Derek Woollins

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Abstract

Cp*Rh(S₂N₂) was prepared as a microcrystalline solid by using [S₄N₃]Cl in liquid ammonia or [nBu₂Sn(S₂N₂)]₂. It was characterised by NMR, IR and Raman spectroscopy andmass spectrometry. Low-temperature crystal structures of Cp*Co(S₂N₂) and Cp*Ir(S₂N₂) were determined. The experimental characterisation of the Cp*M(S₂N₂) complexes was complemented by calculated geometries and bond orders at the DFT/B1B95 level of theory.

Original language	English
Pages (from-to)	4483-4490
Number of pages	8
Journal	European Journal of Inorganic Chemistry
Volume	2009
Issue number	29-30
DOIs	https://doi.org/10.1002/ejic.200900541
Publication status	Published - Oct 2009

Keywords

Metallacycles
Rhodium
Structure elucidation
Density functional calculations
Transition-Metal-Complexes
Nuclear magnetic-resonance
Sulfur Nitrogen complexes
Auxiliary basis-sets
Roeskys Sulfoxide
Liquid-ammonia
Reactivity
CPCOS2N2
S4N4
1/2PH2PCH2CH2PPH2

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cpxmsn2009vit2.pdf
Copyright © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. This work is made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://dx.doi.org/10.1002/ejic.200900541
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title = "Molecular and crystal structures of Cp*M(S2N2) (M = Co, Rh, Ir) and related compounds",

abstract = "Cp*Rh(S2N2) was prepared as a microcrystalline solid by using [S4N3]Cl in liquid ammonia or [nBu2Sn(S2N2)]2. It was characterised by NMR, IR and Raman spectroscopy andmass spectrometry. Low-temperature crystal structures of Cp*Co(S2N2) and Cp*Ir(S2N2) were determined. The experimental characterisation of the Cp*M(S2N2) complexes was complemented by calculated geometries and bond orders at the DFT/B1B95 level of theory.",

keywords = "Metallacycles, Rhodium, Structure elucidation, Density functional calculations, Transition-Metal-Complexes, Nuclear magnetic-resonance, Sulfur Nitrogen complexes, Auxiliary basis-sets, Roeskys Sulfoxide, Liquid-ammonia, Reactivity, CPCOS2N2, S4N4, 1/2PH2PCH2CH2PPH2",

author = "Vit Matuska and Karla Tersago and Petr Kilian and {Van Alsenoy}, Christian and Frank Blockhuys and Slawin, {Alexandra Martha Zoya} and Woollins, {J Derek}",

note = "This work is funded by EPSRC UK.",

year = "2009",

month = oct,

doi = "10.1002/ejic.200900541",

language = "English",

volume = "2009",

pages = "4483--4490",

journal = "European Journal of Inorganic Chemistry",

issn = "1434-1948",

publisher = "Wiley-Blackwell",

number = "29-30",

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TY - JOUR

T1 - Molecular and crystal structures of Cp*M(S2N2) (M = Co, Rh, Ir) and related compounds

AU - Matuska, Vit

AU - Tersago, Karla

AU - Kilian, Petr

AU - Van Alsenoy, Christian

AU - Blockhuys, Frank

AU - Slawin, Alexandra Martha Zoya

AU - Woollins, J Derek

N1 - This work is funded by EPSRC UK.

PY - 2009/10

Y1 - 2009/10

N2 - Cp*Rh(S2N2) was prepared as a microcrystalline solid by using [S4N3]Cl in liquid ammonia or [nBu2Sn(S2N2)]2. It was characterised by NMR, IR and Raman spectroscopy andmass spectrometry. Low-temperature crystal structures of Cp*Co(S2N2) and Cp*Ir(S2N2) were determined. The experimental characterisation of the Cp*M(S2N2) complexes was complemented by calculated geometries and bond orders at the DFT/B1B95 level of theory.

AB - Cp*Rh(S2N2) was prepared as a microcrystalline solid by using [S4N3]Cl in liquid ammonia or [nBu2Sn(S2N2)]2. It was characterised by NMR, IR and Raman spectroscopy andmass spectrometry. Low-temperature crystal structures of Cp*Co(S2N2) and Cp*Ir(S2N2) were determined. The experimental characterisation of the Cp*M(S2N2) complexes was complemented by calculated geometries and bond orders at the DFT/B1B95 level of theory.

KW - Metallacycles

KW - Rhodium

KW - Structure elucidation

KW - Density functional calculations

KW - Transition-Metal-Complexes

KW - Nuclear magnetic-resonance

KW - Sulfur Nitrogen complexes

KW - Auxiliary basis-sets

KW - Roeskys Sulfoxide

KW - Liquid-ammonia

KW - Reactivity

KW - CPCOS2N2

KW - S4N4

KW - 1/2PH2PCH2CH2PPH2

UR - http://onlinelibrary.wiley.com/doi/10.1002/ejic.200900541/suppinfo

U2 - 10.1002/ejic.200900541

DO - 10.1002/ejic.200900541

M3 - Article

SN - 1434-1948

VL - 2009

SP - 4483

EP - 4490

JO - European Journal of Inorganic Chemistry

JF - European Journal of Inorganic Chemistry

IS - 29-30

ER -

Molecular and crystal structures of Cp*M(S₂N₂) (M = Co, Rh, Ir) and related compounds

Abstract

Keywords

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