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Lewis Base Stabilized Dicarbon: Predictions from Theory
Author(s) -
Dutton Jason L.,
Wilson David J. D.
Publication year - 2012
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201107815
Subject(s) - bifunctional , phosphine , lewis acids and bases , adduct , base (topology) , chemistry , molecule , carbon fibers , computational chemistry , materials science , organic chemistry , catalysis , mathematics , mathematical analysis , composite number , composite material
New C‐based ligands? Inspired by recent work on main group allotropes, a theoretical examination of Lewis base (NHC, phosphine) stabilized dicarbon has been carried out. The results indicate that the phosphine and NHC adducts of C 2 have significantly different electronic structures and that both types of molecules should be powerful, bifunctional carbon‐based ligands.