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Dokumenttyp:
Zeitschriftenaufsatz 
Autor(en):
Ketkov, Sergey Yu; Selzle, Heinrich L.; Schlag, Edward W. 
Titel:
High-Resolution Mass-Analyzed Threshold Ionization Study of Deuterated Derivatives of Bis(η6-benzene)chromium 
Abstract:
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 mols. via vibronic components of the 3dz2 → R4px,y Rydberg transition. The ionization energies detd. with extremely high accuracy (±0.0004 eV) on the basis of the MATI expt. are 5.4558 and 5.4562 eV, resp. The simultaneous measurement of the two MATI spectra in one expt. reveals clearly the increase in the ionization energy caused by substitution of one deuterium atom in (η6-C6D6)2Cr with hydrogen. The MATI expt. demonstrates a nonlinear dependence of the ionization potential on the no. of deuterium atoms in the bis(η6-benzene)chromium mol. 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 frequencies of the totally sym. valence metal-ligand stretch v21 and CH umbrella vibration v11as detd. from the MATI spectra are, resp., 249 ± 3 and 594 ± 3 cm-1 for (η6-C6D6)2Cr+ and 251 ± 3 and 595 ± 3 cm-1 for (η6-C6D5H)(η6-C6D6)Cr+. These values correspond to the free gas-phase cations. [on SciFinder(R)] 
Stichworte:
Ionization potential Rydberg state transition Vibrational frequency (high-resoln. mass-analyzed threshold ionization study of deuterated derivs. of bis(benzene)chromium sandwich) Mass spectra (high-resoln. mass-analyzed threshold high-resoln. mass-analyzed threshold ionization study of deuterated derivs. of bis(benzene)chromium sandwich) Photoionization (resonance-enhanced multiphoton high-resoln. mass-analyzed threshold ionization study of deuterated derivs. of bis(benzene)chromium sandwich) Ph...    »
 
Kongresstitel:
CAN 144:412657 29-11 Organometallic and Organometalloidal Compounds G. A. Razuvaev Institute of Organometallic Chemistry RAS, Nizhny Novgorod, Russia. Journal 0276-7333 1271-54-1 (Bis(η6-benzene)chromium); 11077-44-4 (Bis(η6-hexadeuterobenzene)chromium); 884537-89-7 Role: PRP (Properties) (high-resoln. mass-analyzed threshold ionization study of deuterated derivs. of bis(benzene)chromium sandwich) 
Zeitschriftentitel:
Organometallics 
Jahr:
2006 
Band / Volume:
25 
Heft / Issue:
Seitenangaben Beitrag:
1712-1716