Fine Substituent Effects in Sandwich Complexes: A Threshold Ionization Study of Monosubstituted Chromium Bisarene Compounds. Issue 14 (28th January 2016)

• Record Type: Journal Article
• Authors: Ketkov, Sergey Yu.; Markin, Gennady V.; Tzeng, Sheng Y.; Tzeng, Wen B.
• Is Part Of: Chemistry. Volume 22:Issue 14(2016)
• Page Start: 4690
• Page End: 4694
• Publication Date: 2016-01-28
• Subjects: density-functional calculations -- ionization -- sandwich complexes -- substituent effects; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201505039
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: Mass‐analyzed threshold ionization spectra of jet‐cooled [(η 6 ‐PhMe)(η 6 ‐PhH)Cr] and [(η 6 ‐Ph2 )(η 6 ‐PhH)Cr] reveal with unprecedented accuracy the effects of methyl and phenyl groups on the electronic structure of bis(η 6 ‐benzene)chromium. These "pure" substituent effects allow quantitative experimental determination of the ionization energy changes caused by the mutual substituent influence in bisarene systems. Two types of such influence have been revealed for the first time in bis(η 6 ‐toluene)chromium. Abstract : Our mutual influence : Mass‐analyzed threshold ionization spectra of the chromium bisarene complexes bearing a toluene or biphenyl ligand reveal accurate contributions of a single methyl or phenyl group to changes in the ionization energy. Unprecedented resolution of the spectra provides new insights into the mutual influence of substituents in sandwich compounds.