The He(I) and He(II) Photoelectron Spectra of Tm2Zn (Tm = (C5H5)Fe(CO)2, (C5H5)M(CO)3; M = Cr, Mo, W)

UV photoelectron spectra of the title compounds are reported. Assignments are made with the help of He(I)/He(II) intensity differences, shift effects upon substitution and comparison with related molecules. Previously drawn conclusions about the electronic structure of similar complexes also hold for the compounds. It is indicated that the ionization energy for the symmetric metal-metal bond strongly depends on the overlap between transition and post-transition metals.

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Electronic structure of a (cyclopentadienyl)tri-.mu.-oxoditechnetium polymer with a very short metal-metal bond

Inorganic Chemistry ◽

10.1021/ic00005a038 ◽

1991 ◽

Vol 30 (5) ◽

pp. 1086-1093 ◽

Cited By ~ 9

Author(s):

A. W. Edith. Chan ◽

Roald. Hoffmann ◽

Santiago. Alvarez

Keyword(s):

Electronic Structure ◽

Metal Bond ◽

Metal Metal

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Electronic Structure, Heisenberg Coupling Constants, and Metal−Metal Bond in Dimeric Iron(II) Organometallics with the Metal Centers at Variable Distances: A Density Functional Approach

Inorganic Chemistry ◽

10.1021/ic9507676 ◽

1996 ◽

Vol 35 (26) ◽

pp. 7776-7785 ◽

Cited By ~ 10

Author(s):

Paola Belanzoni ◽

Nazzareno Re ◽

Marzio Rosi ◽

Antonio Sgamellotti ◽

Evert Jan Baerends ◽

...

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Approach ◽

Coupling Constants ◽

Metal Centers ◽

Metal Bond ◽

Metal Metal ◽

Heisenberg Coupling Constants

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Electronic structure factors of Ge–H bond activation by transition metals. Photoelectron spectra of [Mn(η5-C5H5)(CO)2(HGePh3)], [Mn(η5-C5H4Me)(CO)2(HGePh3)], and [Mn(η5-C5Me5)(CO)2(HGePh3)]

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9900002161 ◽

1990 ◽

pp. 2161-2166 ◽

Cited By ~ 4

Author(s):

Dennis L. Lichtenberger ◽

Anjana Rai-Chaudhuri

Keyword(s):

Electronic Structure ◽

Transition Metals ◽

Bond Activation ◽

Photoelectron Spectra ◽

Structure Factors

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The photoelectron spectra and electronic structure of 2-carbonyl furans

Canadian Journal of Chemistry ◽

10.1139/v90-118 ◽

1990 ◽

Vol 68 (5) ◽

pp. 747-754 ◽

Cited By ~ 21

Author(s):

Dieter Klapstein ◽

Charles D. MacPherson ◽

Robert T. O'Brien

Keyword(s):

Electronic Structure ◽

Fine Structure ◽

Gas Phase ◽

Carbonyl Group ◽

Ionization Energy ◽

Furan Ring ◽

Photoelectron Spectra ◽

Energy Bands ◽

Rotational Isomers ◽

Inductive Effects

The He(I), λ = 58.4 nm, photoelectron spectra of a series of six 2-carbonyl furans and 2-furonitrile have been measured in the gas phase. The low ionization energy bands are assigned to photoionizations from π orbitals of the furan ring, orbitals localized on the carbonyl group, and orbitals of the carbonyl substituents. Changes in ionization energies within the series can be rationalized in terms of the relative conjugative and inductive effects of the substituents. Substituent inductive effects were found to be dominant. The relatively broad vibrational fine structure on the low IE bands of the carbonyl furans could result from the presence of rotational isomers of the species. Keywords: photoelectron spectra, 2-carbonyl furans, molecular orbitals.

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