title: Fine Substituent Effects in Sandwich Complexes: A Threshold Ionization Study of Monosubstituted Chromium Bisarene Compounds.
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.
authors.affiliation: G. A. Razuvaev Institute of Organometallic Chemistry, RAS, Tropinin St. 49, GSP-445, Nizhny Novgorod, 603950, Russian Federation. sketkov@iomc.ras.ru.
authors.forename: Sergey Yu
authors.identifier: http://orcid.org/0000-0002-9603-2159
authors.initials: SY
authors.lastname: Ketkov
authors.affiliation: G. A. Razuvaev Institute of Organometallic Chemistry, RAS, Tropinin St. 49, GSP-445, Nizhny Novgorod, 603950, Russian Federation.
authors.forename: Gennady V
authors.initials: GV
authors.lastname: Markin
authors.affiliation: Institute of Atomic and Molecular Sciences, Academia Sinica, 1 Section 4, Roosevelt Road, Taipei, 6017, Taiwan.
authors.forename: Sheng Y
authors.initials: SY
authors.lastname: Tzeng
authors.affiliation: Institute of Atomic and Molecular Sciences, Academia Sinica, 1 Section 4, Roosevelt Road, Taipei, 6017, Taiwan. wbt@sinica.edu.tw.
authors.forename: Wen B
authors.initials: WB
authors.lastname: Tzeng
keywords: density-functional calculations; ionization; sandwich complexes; substituent effects