High-resolution core level photoelectron spectra of solid TCNQ: determination of molecular orbital spatial distribution from localized shake-up features

1988 ◽  
Vol 92 (6) ◽  
pp. 1394-1396 ◽  
Author(s):  
John M. Lindquist ◽  
John C. Hemminger
Keyword(s):  
Spatial Distribution ◽  
High Resolution ◽  
Molecular Orbital ◽  
Core Level ◽  
Photoelectron Spectra

Electronic Structure of Adsorbed Trimethylaluminum on Clean Si(100) Surfaces

1988 ◽  
Vol 131 ◽  
Author(s):  
T. Motooka ◽  
P. Fons ◽  
J. E. Greene
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Molecular Orbital ◽  
Electron Acceptor ◽  
Core Level ◽  
Photoelectron Spectra ◽  
Dangling Bond ◽  
Mo Calculations

ABSTRACTThe electronic structure of dimerized trimethylaluminum (TMA), Al2(CH3)6. adsorbed on Si(100) surfaces has been investigated using molecular orbital (MO) calculations based on a cluster description of TMA/Si(100). The calculated results suggest that the interactions between TMA and the Si(100) surface are described by overlap of the TMA electron-deficient bond and Si surface dangling-bond orbitals. The electron-deficient bond orbital is the highest occupied MO of TMA and acts as an electron acceptor for charge transfer from a surface Si atom to TMA consistent with observed core-level and valence photoelectron spectra.

Photoelectron Spectra of Phosgene and Thiophosgene

1972 ◽  
Vol 50 (5) ◽  
pp. 737-746 ◽  
Author(s):  
David Chadwick
Keyword(s):  
High Resolution ◽  
Molecular Orbital ◽  
Strong Interaction ◽  
Lone Pair ◽  
Ionization Potentials ◽  
Photoelectron Spectra ◽  
Lone Pair Electrons

The high resolution photoelectron spectra of phosgene and thiophosgene have been obtained and, in each case, all ionization potentials up to 21.2 eV determined. The spectra are interpreted in terms of the molecular orbital structures and it is concluded that there is a strong interaction between the chlorine pπ "lone pair" electrons and those in the C=O or C=S π bond. The measured ionization potentials are compared with those calculated by the CNDO/2 method and with those obtained for similar molecules.

High resolution determination of the spatial distribution of radioisotopes with a digital intensified detector

2004 ◽  
Vol 213 ◽  
pp. 300-304 ◽  
Author(s):  
Matteo Bettuzzi ◽  
Francesca Ravaioli ◽  
Roberto Rosa ◽  
Massimo Rossi ◽  
Enrica Paltrinieri ◽  
...  
Keyword(s):  
Spatial Distribution ◽  
High Resolution

The High Resolution Photoelectron Spectra of Some Iodoalkanes, Iodocycloalkanes, Iodoalkenes, and Fluoroiodohydrocarbons

1974 ◽  
Vol 52 (8) ◽  
pp. 1217-1228 ◽  
Author(s):  
Roberto Angelo Antonio Boschi ◽  
Dennis Russell Salahub
Keyword(s):  
High Resolution ◽  
Molecular Orbital ◽  
Alkyl Group ◽  
Photoelectron Spectra ◽  
Molecular Orbital Calculations ◽  
Extended Hückel ◽  
Vinyl Iodide ◽  
Allyl Iodide ◽  
Qualitative Changes

The high resolution photoelectron spectra for the following iodine-containing molecules have been measured: iodomethane, 1-iodoethane, 1-iodopropane, 1-iodobutane, 1-iodopentane, 1-iodohexane, 2-methyl-1-iodopropane, 3-methyl-1-iodobutane, 2-iodopropane, iodocyclopentane, iodocyclohexane, 2-methyl-2-iodopropane, trifluoroiodomethane, 2,2,2-trifluoro-1-iodoethane, pentafluoroiodoethane, 3,3,3,2,2,1,1-heptafluoro-1-iodopropane, iodobenzene, pentafluoroiodobenzene, vinyl iodide, allyl iodide. The spectra are discussed in terms of extended Hückel (EH) molecular orbital calculations and of the qualitative changes upon variation of the alkyl group.

High-resolution silicon Kβ X-ray spectra and crystal structure

1989 ◽  
Vol 53 (370) ◽  
pp. 239-244 ◽  
Author(s):  
J. Purton ◽  
D. S. Urch
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Molecular Orbital ◽  
Local Structure ◽  
Emission Spectra ◽  
High Energy ◽  
Low Energy ◽  
Photoelectron Spectra ◽  
Peak Width ◽  
X Ray

AbstractHigh-resolution X-ray emission spectra (XES) are presented for minerals with a variety of structures. The participation of the Si 3p orbitals in bonding is influenced by the local structure around the silicon atom. In orthosilicates the distortion of the SiO44--tetrahedron influences both peak-width and the intensity of the high-energy shoulder of the Si-Kβ spectrum. In minerals containing Si-O-Si bonds there is mixing of the Si 3s and 3p orbitals giving rise to a peak on the low-energy side of the main Si-Kβ peak. When combined with X-ray photoelectron spectra (XPS), a complete molecular orbital picture of bonding can be established.

Vibrational effects in the high resolution tungsten 4f core level photoelectron spectra of [W(CO)6]

1992 ◽  
pp. 1276 ◽  
Author(s):  
Yong-Feng Hu ◽  
G. Michael Bancroft ◽  
John D. Bozek ◽  
Zhifeng Liu ◽  
Douglas G. J. Sutherland ◽  
...  
Keyword(s):  
High Resolution ◽  
Core Level ◽  
Photoelectron Spectra
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