Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation

Simone A. Hauser; Robert M. Reich; János Mink; Alexander Pöthig; Mirza Cokoja; Fritz E. Kühn

doi:10.1039/c4cy01604a

Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)₃R] and [CpMo(O₂)(O)R] (R = Cl, CH₃, CF₃) on the catalytic olefin epoxidation

Simone A. Hauser
, Robert M. Reich
, János Mink
, Alexander Pöthig
, Mirza Cokoja
, Fritz E. Kühn

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

15 Scopus citations

Abstract

Six compounds of the type [CpMo(CO)₃R] (R = Cl (1), CH₃ (2), CF₃ (3)) and [CpMo(O₂)(O)R] (R = Cl (4), CH₃ (5), CF₃ (6) (Cp = η⁵-cyclopentadienyl)) have been synthesised and characterised. The crystal structures of [CpMo(CO)₃CF₃] and [CpMo(O₂)(O)CF₃] are compared to their literature known chloro and methyl derivatives. The influence of the groups R on the performance as epoxidation catalysts is examined. DFT calculations, IR-spectroscopy and X-ray crystallography help to explain differences in reactivity and enable a rational design of active molybdenum tricarbonyl and oxo-peroxo complexes.

Original language	English
Pages (from-to)	2282-2289
Number of pages	8
Journal	Catalysis Science and Technology
Volume	5
Issue number	4
DOIs	https://doi.org/10.1039/c4cy01604a
State	Published - 1 Apr 2015

Access to Document

10.1039/c4cy01604a

Cite this

@article{d7b7ba894e024bd396a2a380edea6b25,

title = "Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation",

abstract = "Six compounds of the type [CpMo(CO)3R] (R = Cl (1), CH3 (2), CF3 (3)) and [CpMo(O2)(O)R] (R = Cl (4), CH3 (5), CF3 (6) (Cp = η5-cyclopentadienyl)) have been synthesised and characterised. The crystal structures of [CpMo(CO)3CF3] and [CpMo(O2)(O)CF3] are compared to their literature known chloro and methyl derivatives. The influence of the groups R on the performance as epoxidation catalysts is examined. DFT calculations, IR-spectroscopy and X-ray crystallography help to explain differences in reactivity and enable a rational design of active molybdenum tricarbonyl and oxo-peroxo complexes.",

author = "Hauser, \{Simone A.\} and Reich, \{Robert M.\} and J{\'a}nos Mink and Alexander P{\"o}thig and Mirza Cokoja and K{\"u}hn, \{Fritz E.\}",

note = "Publisher Copyright: {\textcopyright} The Royal Society of Chemistry.",

year = "2015",

month = apr,

day = "1",

doi = "10.1039/c4cy01604a",

language = "English",

volume = "5",

pages = "2282--2289",

journal = "Catalysis Science and Technology",

issn = "2044-4753",

publisher = "Royal Society of Chemistry",

number = "4",

}

Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)₃R] and [CpMo(O₂)(O)R] (R = Cl, CH₃, CF₃) on the catalytic olefin epoxidation. / Hauser, Simone A.; Reich, Robert M.; Mink, János et al.
In: Catalysis Science and Technology, Vol. 5, No. 4, 01.04.2015, p. 2282-2289.

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

TY - JOUR

T1 - Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation

AU - Hauser, Simone A.

AU - Reich, Robert M.

AU - Mink, János

AU - Pöthig, Alexander

AU - Cokoja, Mirza

AU - Kühn, Fritz E.

PY - 2015/4/1

Y1 - 2015/4/1

N2 - Six compounds of the type [CpMo(CO)3R] (R = Cl (1), CH3 (2), CF3 (3)) and [CpMo(O2)(O)R] (R = Cl (4), CH3 (5), CF3 (6) (Cp = η5-cyclopentadienyl)) have been synthesised and characterised. The crystal structures of [CpMo(CO)3CF3] and [CpMo(O2)(O)CF3] are compared to their literature known chloro and methyl derivatives. The influence of the groups R on the performance as epoxidation catalysts is examined. DFT calculations, IR-spectroscopy and X-ray crystallography help to explain differences in reactivity and enable a rational design of active molybdenum tricarbonyl and oxo-peroxo complexes.

AB - Six compounds of the type [CpMo(CO)3R] (R = Cl (1), CH3 (2), CF3 (3)) and [CpMo(O2)(O)R] (R = Cl (4), CH3 (5), CF3 (6) (Cp = η5-cyclopentadienyl)) have been synthesised and characterised. The crystal structures of [CpMo(CO)3CF3] and [CpMo(O2)(O)CF3] are compared to their literature known chloro and methyl derivatives. The influence of the groups R on the performance as epoxidation catalysts is examined. DFT calculations, IR-spectroscopy and X-ray crystallography help to explain differences in reactivity and enable a rational design of active molybdenum tricarbonyl and oxo-peroxo complexes.

UR - https://www.scopus.com/pages/publications/84925967613

U2 - 10.1039/c4cy01604a

DO - 10.1039/c4cy01604a

M3 - Article

AN - SCOPUS:84925967613

SN - 2044-4753

VL - 5

SP - 2282

EP - 2289

JO - Catalysis Science and Technology

JF - Catalysis Science and Technology

IS - 4

ER -

Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)₃R] and [CpMo(O₂)(O)R] (R = Cl, CH₃, CF₃) on the catalytic olefin epoxidation

Abstract

Access to Document

Other files and links

Fingerprint

Cite this