Ontology highlight
ABSTRACT:
SUBMITTER: Belof JL
PROVIDER: S-EPMC3105361 | biostudies-literature | 2011 Apr
REPOSITORIES: biostudies-literature
Organometallics 20110401 10
A new class of radical metal-carbene complex has been characterized as having Fischer-like orbital interactions and adjacent π acceptor stabilization. Density Functional Theory (DFT) along with Natural Bond Orbital (NBO) analysis and Charge Decomposition Analysis (CDA) has given insight into the electronics of this catalytic intermediate in an open-shell cobalt-porphyrin, [Co(Por)], system. The complex has a single bond from the metal to the carbene and has radical character with localized spin ...[more]