Ligand Dynamics of tert-Butyl Isocyanide Oxido Complexes of Molybdenum(IV)

Publication type:
Journal article
Metadata:
Autoren
  • Jana Leppin
  • Christoph Foerster
  • Katja Heinze
Autoren-URL
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000330204000051&DestLinkType=FullRecord&DestApp=WOS_CPL
DOI
10.1021/ic4025102
eISSN
1520-510X
Externe Identifier
  • Clarivate Analytics Document Solution ID: 296RV
  • PubMed Identifier: 24392782
ISSN
0020-1669
Ausgabe der Veröffentlichung
2
Zeitschrift
INORGANIC CHEMISTRY
Paginierung
1039 - 1047
Datum der Veröffentlichung
2014
Status
Published
Titel
Ligand Dynamics of <i>tert</i>-Butyl Isocyanide Oxido Complexes of Molybdenum(IV)
Sub types
  • Article
Ausgabe der Zeitschrift
53

Data source: Web of Science (Lite)

Other metadata sources:
Autoren
  • Jana Leppin
  • Christoph Förster
  • Katja Heinze
DOI
10.1021/ic4025102
eISSN
1520-510X
ISSN
0020-1669
Ausgabe der Veröffentlichung
2
Zeitschrift
Inorganic Chemistry
Sprache
en
Online publication date
2014
Paginierung
1039 - 1047
Datum der Veröffentlichung
2014
Status
Published
Herausgeber
American Chemical Society (ACS)
Herausgeber URL
http://dx.doi.org/10.1021/ic4025102
Datum der Datenerfassung
2023
Titel
Ligand Dynamics of <i>tert</i>-Butyl Isocyanide Oxido Complexes of Molybdenum(IV)
Ausgabe der Zeitschrift
53

Data source: Crossref

Abstract
The six-coordinate molybdenum(IV) oxido isocyanide complex 1 [Δ,Λ-OC-6-2-3-[MoO(N(p)∩N(i))2(CN(t)Bu)]; N(p)∩N(i) = 4-tert-butylphenyl(pyrrolato-2-ylmethylene)amine] is obtained in diastereomerically pure form in the solid state, as revealed by single-crystal X-ray diffraction. In solution, this stereoisomer equilibrates with the Δ,Λ-OC-6-2-4 diastereomer 2 at ambient temperature. The stereochemistry of both isomers has been elucidated by NMR, IR, and UV/vis spectroscopy in combination with density functional theory (DFT)/polarizable continuum model and time-dependent DFT calculations. The isomerization 1 → 2 is suggested to proceed via a dissociative trigonal twist with dissociation of the imine nitrogen donor N(i) of one chelate ligand (hemilabile ligand) rather than dissociation of the monodentate isocyanide ligand. The isomerization barrier has been experimentally determined as 91 and 95 kJ mol(-1) in tetrahydrofuran and toluene, respectively.
Addresses
  • Institute of Inorganic Chemistry and Analytical Chemistry, Johannes Gutenberg-University of Mainz , Duesbergweg 10-14, 55128 Mainz, Germany.
Autoren
  • Jana Leppin
  • Christoph Förster
  • Katja Heinze
DOI
10.1021/ic4025102
eISSN
1520-510X
Externe Identifier
  • PubMed Identifier: 24392782
Open access
false
ISSN
0020-1669
Ausgabe der Veröffentlichung
2
Zeitschrift
Inorganic chemistry
Sprache
eng
Medium
Print-Electronic
Online publication date
2014
Paginierung
1039 - 1047
Datum der Veröffentlichung
2014
Status
Published
Datum der Datenerfassung
2014
Titel
Ligand dynamics of tert-butyl isocyanide oxido complexes of molybdenum(IV).
Sub types
  • Journal Article
Ausgabe der Zeitschrift
53

Data source: Europe PubMed Central

Abstract
The six-coordinate molybdenum(IV) oxido isocyanide complex 1 [Δ,Λ-OC-6-2-3-[MoO(N(p)∩N(i))2(CN(t)Bu)]; N(p)∩N(i) = 4-tert-butylphenyl(pyrrolato-2-ylmethylene)amine] is obtained in diastereomerically pure form in the solid state, as revealed by single-crystal X-ray diffraction. In solution, this stereoisomer equilibrates with the Δ,Λ-OC-6-2-4 diastereomer 2 at ambient temperature. The stereochemistry of both isomers has been elucidated by NMR, IR, and UV/vis spectroscopy in combination with density functional theory (DFT)/polarizable continuum model and time-dependent DFT calculations. The isomerization 1 → 2 is suggested to proceed via a dissociative trigonal twist with dissociation of the imine nitrogen donor N(i) of one chelate ligand (hemilabile ligand) rather than dissociation of the monodentate isocyanide ligand. The isomerization barrier has been experimentally determined as 91 and 95 kJ mol(-1) in tetrahydrofuran and toluene, respectively.
Autoren
  • Jana Leppin
  • Christoph Förster
  • Katja Heinze
Autoren-URL
https://www.ncbi.nlm.nih.gov/pubmed/24392782
DOI
10.1021/ic4025102
eISSN
1520-510X
Ausgabe der Veröffentlichung
2
Zeitschrift
Inorg Chem
Sprache
eng
Country
United States
Paginierung
1039 - 1047
Datum der Veröffentlichung
2014
Status
Published
Datum, an dem der Datensatz öffentlich gemacht wurde
2014
Titel
Ligand dynamics of tert-butyl isocyanide oxido complexes of molybdenum(IV).
Sub types
  • Journal Article
Ausgabe der Zeitschrift
53

Data source: PubMed

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