期刊
ORGANOMETALLICS
卷 35, 期 17, 页码 2923-2929出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.organomet.6b00474
关键词
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资金
- Max-Planck-Institut fur Kohlenforschung
- Fond der Chemischen Industrie
- NSF [CHE- 0952753]
- Alfred P. Sloan Foundation
- DOE SCGF
- Consejo Nacional de Ciencia y Tecnologia
- Fundacion Mexico
- EU
- NSF
Iron complexes are commonly used in catalysis, but the identity of the active catalyst is often unknown, which prevents a detailed understanding of structure reactivity relationships for catalyst design. Here we report the isolation and electronic structure determination of a well-defined, low-valent iron complex that is an active Catalyst in the synthesis of cis,cis-1,5-cyclooctadiene (COD) from 1,3-butadiene. Spectroscopic and magnetic characterization establishes a high-spin Fe(I) center, which is supported by DFT studies, where partial metal ligand antibonding orbital population is proposed to allow for facile ligand exchange during catalysis.
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