Transient innermolecular carbene-hemicarcerand complex of fluorophenylcarbene

Zhifeng Lu; Robert A Moss; Ralf Warmuth; Karsten Krogh-Jespersen

doi:10.1021/jp2087785

Transient innermolecular carbene-hemicarcerand complex of fluorophenylcarbene

J Phys Chem A. 2011 Dec 1;115(47):13799-803. doi: 10.1021/jp2087785. Epub 2011 Nov 3.

Authors

Zhifeng Lu¹, Robert A Moss, Ralf Warmuth, Karsten Krogh-Jespersen

Affiliation

¹ Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, New Brunswick, New Jersey 08903, USA.

PMID: 22050236
DOI: 10.1021/jp2087785

Abstract

Laser flash photolysis of fluorophenyldiazirine incarcerated in hemicarcerand 2 affords incarcerated fluorophenylcarbene [2⊙3], which forms a metastable, innermolecular π-complex with aryl moieties of 2. This carbene complex can be observed spectroscopically. Extensive computational studies provide insights into the structure, spectroscopy, energetics, and kinetics of the 2⊙3 carbene complex.

Publication types

Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

Bridged-Ring Compounds / chemistry*
Methane / analogs & derivatives*
Methane / chemistry
Molecular Conformation

Substances

Bridged-Ring Compounds
carbene
Methane