Ab initio MO study of the CO{sub 2} insertion into the Cu(I)-R bond (R = H, CH{sub 3}, or OH). Comparison between the CO{sub 2} insertion and the C{sub 2}H{sub 4} insertion
- Kumamoto Univ. (Japan)
Ab initio MO/MP4, SD-CI, and CCD models were invoked in the consideration of carbon dioxide and ethene insertion into Cu(II)-R bonds. For R = H, CH{sub 3}, and OH, the authors calculated the activation energy and reaction enthalpy for these reactions and presents the related arguments here.
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 401820
- Journal Information:
- Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 7 Vol. 34; ISSN 0020-1669; ISSN INOCAJ
- Country of Publication:
- United States
- Language:
- English
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