High-Resolution Mass-Analyzed Threshold Ionization Study of Deuterated Derivatives of Bis(η6-benzene)chromium

Autor:	Edward W. Schlag, Heinrich L. Selzle, Sergey Yu. Ketkov
Rok vydání:	2006
Předmět:	Chemistry Organic Chemistry Analytical chemistry Spectral line Inorganic Chemistry symbols.namesake Deuterium Ionization Atom Rydberg formula symbols Molecule Physical and Theoretical Chemistry Ionization energy Rydberg state Atomic physics
Zdroj:	Organometallics. 25:1712-1716
ISSN:	1520-6041 0276-7333
Popis:	Two-color multiphoton mass-analyzed threshold ionization (MATI) spectra of jet-cooled (η6-C6D6)2Cr and (η6-C6D5H)(η6-C6D6)Cr have been obtained for the first time with excitation of the sandwich molecules via vibronic components of the 3dz2 → R4px,y Rydberg transition. The ionization energies determined with extremely high accuracy (±0.0004 eV) on the basis of the MATI experiment are 5.4558 and 5.4562 eV, respectively. The simultaneous measurement of the two MATI spectra in one experiment reveals clearly the increase in the ionization energy caused by substitution of one deuterium atom in (η6-C6D6)2Cr with hydrogen. The MATI experiment demonstrates a nonlinear dependence of the ionization potential on the number of deuterium atoms in the bis(η6-benzene)chromium molecule. Deuteration appears to decrease both the ionization energy and the R4px,y Rydberg term value. The decrease in the term value is a result of the Jahn−Teller instability of the R4px,y Rydberg state. The ground-state cation vibrational frequ...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7ca9d43b3e0e507740af14dd4d706f71 https://doi.org/10.1021/om0509950 Zobrazit plný text záznamu