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The Adsorption of Cyclopropane and Cyclohexane on Cu(111): An Experimental and Theoretical Investigation on the Nature of the CH−Metal Interaction
Author(s) -
Fosser Kari A.,
Nuzzo Ralph G.,
Bagus Paul S.,
Wöll Christof
Publication year - 2002
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 - 10.1002/1521-3773(20020517)41:10<1735::aid-anie1735>3.0.co;2-g
Subject(s) - cyclopropane , cyclohexane , adsorption , ab initio , spectral line , transition metal , metal , ab initio quantum chemistry methods , anomaly (physics) , chemistry , computational chemistry , chemical physics , crystallography , materials science , condensed matter physics , physics , organic chemistry , catalysis , molecule , quantum mechanics , ring (chemistry)
On contact with transition metals , saturated hydrocarbons reveal pronounced red shifts in the C−H stretching region in their IR spectra (shaded region in picture), which are discussed in connection with C−H activation. Detailed ab initio calculations for cyclopropane and cyclohexane on a Cu surface suggest that this anomaly is caused by an unexpected chemical interaction.