Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 18, Issue 14, Pages 4419-4425Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201103250
Keywords
carbenes; carbones; density functional calculations; donor-acceptor systems; nitrogen heterocycles
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Funding
- Council of Scientific and Industrial Research (CSIR), New Delhi, India
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Density functional calculations predict that 2,2'-bipyridyl carbenes have some degree of hidden carbon(0) character. This is supported by very high second proton affinity values and bond dissociation energies (BDEs) for the dissociation of one AuCl and one Ni(CO)2 molecule from [(AuCl)2(2,2'-bipyridyl carbene)] and [{Ni(CO)2}2(2,2'-bipyridyl carbene)]. An Arduengo type carbene also showed significant BDE values for gem-dimetallation, thus indicating the possible existence of carbon(0) character. All of the dimetallated derivatives showed metallophilic interactions.
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