Study of Sulfur-Sulfur Nonbonded Interactions in Substituted Diphosphine Disulfides by Gas-Phase UV Photoelectron Spectroscopy

1981 ◽  
Vol 36 (1) ◽  
pp. 68-71
Author(s):  
Lucilla Alagna ◽  
Carla Cauletti ◽  
Marco Andreocci ◽  
Claudio Furlani ◽  
Gerhard Hagele
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Photoelectron Spectra ◽  
Coupling Mechanism ◽  
Nonbonded Interactions ◽  
Lone Pairs ◽  
Uv Photoelectron Spectroscopy

Ultraviolet photoelectron spectra (UPS) of tetrasubstituted diphosphine disulfides RR'P(S)- P(S)RR' exhibit peculiar 1:2:1 splitting patterns in the region 7.5-9.5 eV for which a throughbond coupling mechanism between the sulfur lone pairs lying in the PPS planes is proposed. Further bond orbitals are related to bands at higher I. E. in the UP spectra

DEVELOPMENT OF A CONICAL ENERGY ANALYZER FOR ANGLE-RESOLVED PHOTOELECTRON SPECTROSCOPY

2002 ◽  
Vol 09 (01) ◽  
pp. 583-586
Author(s):  
KOTA IWASAKI ◽  
KOICHIRO MITSUKE
Keyword(s):  
Gas Phase ◽  
Energy Resolution ◽  
Photoelectron Spectroscopy ◽  
Angular Resolution ◽  
Photoelectron Spectra ◽  
Sensitive Detector ◽  
Energy Analyzer ◽  
Position Sensitive ◽  
Pass Energy ◽  
Helium Discharge

A new angle-resolving electron energy analyzer composed of a conical electrostatic prism and a position-sensitive detector was developed for gas phase photoelectron spectroscopy. The performance of the analyzer has been tested by measuring photoelectron spectra of Ar using a helium discharge lamp. The angular resolution of 3° was achieved at the pass energy E of 5.6 eV. The best energy resolution was ΔE/E = 0.043 at E = 1.4 eV .

Gas-Phase Tautomerism in the Triazoles and Tetrazoles: A Study by Photoelectron Spectroscopy and ab Initio Molecular Orbital Calculations

1981 ◽  
Vol 36 (11) ◽  
pp. 1246-1252 ◽  
Author(s):  
Michael H. Palmer ◽  
Isobel Simpson ◽  
J. Ross Wheeler
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Molecular Orbital ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Photoelectron Spectra ◽  
Equilibrium Geometry ◽  
Molecular Orbital Calculations ◽  
Methyl Derivatives

The photoelectron spectra of the tautomeric 1,2,3,- and 1,2,4-triazole and 1,2,3,4-tetrazole systems have been compared with the corresponding N-methyl derivatives. The dominant tautomers in the gas phase have been identified as 2 H-1,2,3-triazole, 1 H-1,2,4-triazole and 2H-tetrazole.Full optimisation of the equilibrium geometry by ab initio molecular orbital methods leads to the same conclusions, for relative stability of the tautomers in each of the triazoles, but the calculations wrongly predict the tetrazole tautomerism.

X-Ray photoelectron spectroscopy of monosubstituted perfluorobenzenes

1977 ◽  
Vol 55 (8) ◽  
pp. 1279-1284 ◽  
Author(s):  
Barry C. Trudell ◽  
S. James W. Price
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Photoelectron Spectra ◽  
Atomic Charges ◽  
X Ray ◽  
Sophisticated Analysis ◽  
Charge Calculations

The gas phase X-ray photoelectron spectra, XPS, were observed for the series C6F5X (X = F, Cl, I, Br, H). Binding energies were determined from the spectra using the ESCAPLOT Program. Charge calculations were carried out using Equalization of Electronegativity, CNDO/2, and ACHARGE approaches on each molecule. The more sophisticated analysis leads to the following equation correlating the (C 1s) binding energies and the atomic charges qi[Formula: see text]

scholarly journals Photoelectron spectroscopy of reactive intermediates

1988 ◽  
Vol 324 (1578) ◽  
pp. 197-207 ◽  
Keyword(s):  
Transition Metal ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Photoelectron Spectrum ◽  
Reactive Intermediates ◽  
Vapour Phase ◽  
Photoelectron Spectra ◽  
Triatomic Molecule ◽  
Recent Developments ◽  
Vanadium Monoxide

Recent developments in the use of photoelectron spectroscopy to study reactive intermediates in the gas phase are reviewed. The information to be derived on low-lying cationic states from such studies is illustrated by considering two diatomic molecules, NCI and PF, and one triatomic molecule, HNO. Also, the use of a transition-metal photoelectron spectrum to interpret the photoelectron spectrum of the corresponding transition-metal oxide is discussed by using the spectra of vanadium and vanadium monoxide as examples. The value of super-heating in high-temperature photoelectron spectroscopy is demonstrated by considering the vapour-phase photoelectron spectra of the monomers and dimers of sodium hydroxide.

The Hei and HeH Photoelectron Spectra of [Fe*?3-C3H5(CO)3X] and [Fe^3-C4H7 (CO)3X] (X = Cl, Br, I) and [CoC3H5(CO)3]

1982 ◽  
Vol 37 (2) ◽  
pp. 179-185 ◽  
Author(s):  
Jaap N. Louwen ◽  
Jaap Hart ◽  
Derk J. Stufkens ◽  
Ad Oskam
Keyword(s):  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Lone Pair ◽  
Iron Complexes ◽  
Photoelectron Spectra ◽  
Pair Type ◽  
Ionization Energies ◽  
Uv Photoelectron Spectroscopy

Abstract By means of UV photoelectron spectroscopy (UPS) the electronic structures of [Feη3.C3H5(CO)3X], [Feη3-(2-CH3C3H4)(CO)3X] (X = Cl, Br, I) and [Co(C3H5)(CO)3] have been studied. Detailed assignments are possible and surprisingly low ionization energies (as low as 8.19 eV) are found for iodine lone pair type Orbitals. From the spectra a large difference in π backbonding is found between the cobalt and iron complexes

Recent Studies on Flash Vacuum Thermolysis in Tandem with UV-Photoelectron Spectroscopy and Quantum Calculations

2014 ◽  
Vol 67 (9) ◽  
pp. 1166 ◽  
Author(s):  
Anna Chrostowska ◽  
Stanisław Leśniak
Keyword(s):  
Experimental Data ◽  
Electronic Structure ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Quantum Calculations ◽  
Fundamental Information ◽  
Spectroscopic Characterisation ◽  
Uv Photoelectron Spectroscopy ◽  
Unambiguous Interpretation

Flash vacuum thermolysis (FVT) is a particular method that allows the synthesis of stable compounds or the generation of short-lived species. Its coupling with spectroscopic characterisation provides very useful tools for mechanistic investigations. One of the most efficient and especially well suited techniques for this purpose is ultraviolet–photoelectron spectroscopy (UV-PES), which in tandem with FVT provides the ionisation energies of in situ formed molecules in the gas phase. The experimental data thus obtained in real-time are supported by quantum chemical calculations for consistency of the assignments of PES spectra and constitute fundamental information about electronic structure and bonding. The FVT/UV-PES technique has been known for more than 40 years, but one advantage in the present age is the greater confidence in electronic structure computations for predicting ionisation energies, thus providing the necessary tool for unambiguous interpretation of experimental data. This mini-review aims to give some representative, original examples, chosen from a French–Polish collaboration that illustrates the efficiency and wide applicability of the FVT/UV-PES tandem methodology. The selected examples on the FVT of thione and imine derivatives will be presented.

scholarly journals Binding energy of solvated electrons and retrieval of true UV photoelectron spectra of liquids

2019 ◽  
Vol 5 (8) ◽  
pp. eaaw6896 ◽  
Author(s):  
Junichi Nishitani ◽  
Yo-ichi Yamamoto ◽  
Christopher W. West ◽  
Shutaro Karashima ◽  
Toshinori Suzuki
Keyword(s):  
Binding Energy ◽  
Photoelectron Spectroscopy ◽  
Extreme Ultraviolet ◽  
High Harmonic ◽  
Chemical Species ◽  
Electronic Energy ◽  
Photoelectron Spectra ◽  
Solvated Electrons ◽  
Energy Distributions ◽  
Uv Photoelectron Spectroscopy

The electronic energy and dynamics of solvated electrons, the simplest yet elusive chemical species, is of interest in chemistry, physics, and biology. Here, we present the electron binding energy distributions of solvated electrons in liquid water, methanol, and ethanol accurately measured using extreme ultraviolet (EUV) photoelectron spectroscopy of liquids with a single-order high harmonic. The distributions are Gaussian in all cases. Using the EUV and UV photoelectron spectra of solvated electrons, we succeeded in retrieving sharp electron kinetic energy distributions from the spectra broadened and energy shifted by inelastic scattering in liquids, overcoming an obstacle in ultrafast UV photoelectron spectroscopy of liquids. The method is demonstrated for the benchmark systems of charge transfer to solvent reaction and ultrafast internal conversion of hydrated electron from the first excited state.

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