Molecular and Crystal Structures of Cp star M(S2N2) (M = Co, Rh, Ir) and Related Compounds

Cp*Rh(S2N2) was prepared as a microcrystalline solid by using (S4N3]Cl in liquid ammonia or [nBu(2)Sn(S2N2)](2), It was characterised by NMR, IR and Raman spectroscopy and mass spectrometry Low-temperature crystal structures of Cp*Co(S2N2) and Cp*Ir(S2N2) were determined The experimental characteris...

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Published inEuropean journal of inorganic chemistry no. 29-30; pp. 4483 - 4490
Main Authors Matuska, Vit, Tersago, Karla, Kilian, Petr, Van Alsenoy, Christian, Blockhuys, Frank, Slawin, Alexandra M. Z., Woollins, J. Derek
Format Journal Article
LanguageEnglish
Published WEINHEIM Wiley 01.10.2009
Subjects
Chemistry
Chemistry, Inorganic & Nuclear
Physical Sciences
Science & Technology
AUXILIARY BASIS-SETS
S4N4
1/2PH2PCH2CH2PPH2
BEHAVIOR
NUCLEAR-MAGNETIC-RESONANCE
COMPLEXES
REACTIVITY
Density functional calculations
AROMATICITY
Rhodium
ROESKYS KETONE
Metallacycles
EXCHANGE
Structure elucidation
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Summary:Cp*Rh(S2N2) was prepared as a microcrystalline solid by using (S4N3]Cl in liquid ammonia or [nBu(2)Sn(S2N2)](2), It was characterised by NMR, IR and Raman spectroscopy and mass 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 ((C) Wiley-VCH Verlag GmbH & Co KGaA, 69451 Weinheim, Germany, 2009)
ISSN:1434-1948
1099-0682
DOI:10.1002/ejic.200900541