The ultraviolet photoelectron spectra of C6F5X compounds, X = (F, Cl, Br, I, H, CH3)

1979 ◽  
Vol 57 (17) ◽  
pp. 2256-2259 ◽  
Author(s):  
Barry C. Trudell ◽  
S. James W. Price
Keyword(s):  
Photoelectron Spectroscopy ◽  
Photoelectron Spectra ◽  
Ultraviolet Photoelectron Spectroscopy

This work provides a study of the 1a2uπ, 2e2gσ, and 1e1gπ levels of a series of C6F5X compounds (X = F, Cl, Br, I, H, CH3) using ultraviolet photoelectron spectroscopy or more simply PES. The three levels are assigned from the PES spectra using the perfluoro effect. A correlation between the energies of these levels and the energies predicted by CNDO/2 and INDO is presented.

Gas-liquid chromatography/ultraviolet photoelectron spectroscopy and the photoelectron spectra of nitrosamines

1976 ◽  
Vol 48 (7) ◽  
pp. 1078-1084 ◽  
Author(s):  
D. Betteridge ◽  
Syed K. Hasanuddin ◽  
David I. Rees
Keyword(s):  
Liquid Chromatography ◽  
Photoelectron Spectroscopy ◽  
Photoelectron Spectra ◽  
Ultraviolet Photoelectron Spectroscopy ◽  
Gas Liquid Chromatography

Variable-Temperature Ultraviolet Photoelectron-Spectroscopy of the Keto-Enol Tautomers of Pentane-2,4-Dione

1987 ◽  
Vol 40 (3) ◽  
pp. 599 ◽  
Author(s):  
NS Hush ◽  
MK Livett ◽  
JB Peel ◽  
GD Willett
Keyword(s):  
Photoelectron Spectroscopy ◽  
Energy Region ◽  
Variable Temperature ◽  
Photoelectron Spectra ◽  
Ultraviolet Photoelectron Spectroscopy ◽  
Molecular Orbital Calculations ◽  
Electronic Relaxation ◽  
Relaxation Effects ◽  
Enol Tautomer ◽  
Scf Calculations

The HeI photoelectron spectra of pentane-2,4-dione measured at various temperatures have been subjected to a spectrum-stripping technique to enable isolation of the complete HeI photoelectron spectra of the keto and enol tautomers. The resulting spectrum-stripping coefficients allow evaluation of the enolization equilibrium constant at each temperature and subsequently the enthalpy of enolization. Interpretation of the photoelectron spectra is achieved with the use of ab initio molecular orbital calculations. Photoionization of non-bonding oxygen, and π -type electrons, contribute to the low ionization energy region of the spectrum, with a πCC < no- <πCO ordering for the enol tautpmer , and no- < no+ < πCO+ for the keto tautomer . Because of different electronic relaxation effects, ∆SCF calculations are required to predict correctly the observed πCC/no- spacing for the enol tautomer.

Thermolysis of trimethylsilyl esters: an ultraviolet photoelectron spectroscopy study

1988 ◽  
Vol 66 (6) ◽  
pp. 1430-1439 ◽  
Author(s):  
Nick Henry Werstiuk ◽  
Michael A. Brook ◽  
Peter Hülser
Keyword(s):  
Acetic Acid ◽  
Molecular Orbital ◽  
Photoelectron Spectroscopy ◽  
Small Extent ◽  
Starting Material ◽  
Photoelectron Spectra ◽  
Ultraviolet Photoelectron Spectroscopy ◽  
Spectroscopy Study ◽  
Primary Products ◽  
Trimethylsilyl Trifluoromethanesulfonate

The thermolytic behaviour of trimethylsilyl trifluoromethanesulfonate, 1, trimethylsilyl trifluoroacetate, 2, and trimethylsilyl acetate, 3, has been investigated by ultraviolet photoelectron spectroscopy. Acetate 3 undergoes decomposition only to a small extent at 800 °C via the mechanism shown in Scheme 1 (X = Si); only acetic acid and starting material are detected. In contrast[Formula: see text]with this result, 1 and 2 decompose completely at 725–800 °C and yield products which cannot be derived via the mechanism shown in Scheme 1. Evidence is presented to support our proposal that the thermolysis of 1 yields trimethylsilyl fluoride, 6, and difluorooxathirane dioxide, 7, as primary products. The photoelectron spectra of 1, 2, 3, 6 and trimethylsilanol, 9, are presented. Molecular orbital eigenvalues of dimethylsilene, 4, dimethylsilanone, 5 (calculated using AMPAC and Gaussian 82), 6 and 9 (AMPAC) are reported. Molecular orbital contour diagrams are given for selected MOs of 6 and 9.

A study of lone-pair interactions of tetracyclic diamines by ultraviolet photoelectron spectroscopy

1986 ◽  
Vol 64 (4) ◽  
pp. 760-763 ◽  
Author(s):  
Nick Henry Werstiuk ◽  
Douglas Neve Butler ◽  
Sushil Datta
Keyword(s):  
Photoelectron Spectroscopy ◽  
Lone Pair ◽  
Photoelectron Spectra ◽  
Ultraviolet Photoelectron Spectroscopy ◽  
First Report ◽  
Lone Pairs ◽  
Nitrogen Lone Pair ◽  
Lone Pair Interactions ◽  
Pair Interactions ◽  
Hydrogen Bonded

The ultraviolet photoelectron spectra of 2,7-diazatetracyclo[3.3.3.0.4,90.8,11]undecane (1) and its N,N-dimethyl- and methylene-bridged analogues 2 and 3 are documented. The spectrum of 2, which exhibits a nitrogen lone-pair splitting of 0.95 ± 0.1 eV, is interpreted on the basis of an interaction of "inside" lone pairs of the 1,2-diamine. Apparently this is the first report of a study of such an interaction. The spectrum of 1 is consistent with our view that 1 is an intramolecularly hydrogen bonded species in which the lone pairs are "inside–outside".

Surface potential of liquid microjet investigated using extreme ultraviolet photoelectron spectroscopy

2020 ◽  
Vol 152 (14) ◽  
pp. 144503
Author(s):  
Junichi Nishitani ◽  
Shutaro Karashima ◽  
Christopher W. West ◽  
Toshinori Suzuki
Keyword(s):  
Surface Potential ◽  
Photoelectron Spectroscopy ◽  
Extreme Ultraviolet ◽  
Ultraviolet Photoelectron Spectroscopy

scholarly journals Modification of Wood with Monoethanolamino-borate by The Data of X-Ray Photoelectron Spectroscopy

2018 ◽  
Vol 196 ◽  
pp. 04005
Author(s):  
Irina Stepina ◽  
Irina Kotlyarova
Keyword(s):  
Particle Size ◽  
Photoelectron Spectroscopy ◽  
Model Compound ◽  
Hydrolytic Stability ◽  
Photoelectron Spectra ◽  
Wood Cellulose ◽  
Rapid Loss ◽  
X Ray ◽  
Wood Protection ◽  
Cellulose Materials

The difficulty of wood protection from biocorrosion and fire is due to the fact that modifiers in use are washed out from the surface of the substrate under the influence of environmental factors. This results in a rapid loss of the protective effect and other practically important wood characteristics caused by the modification. To solve this problem is the aim of our work. Here, monoethanolaminoborate is used as a modifier, where electron-donating nitrogen atom provides a coordination number equal to four to a boron atom, which determines the hydrolytic stability of the compounds formed. Alpha-cellulose ground mechanically to a particle size of 1 mm at most was used as a model compound for the modification. X-ray photoelectron spectra were recorded on the XSAM-800 spectrometer (Kratos, UK). Prolonged extraction of the modified samples preceded the registration of the photoelectron spectra to exclude the fixation of the modifier molecules unreacted with cellulose. As a result of the experiment, boron and nitrogen atoms were found in the modified substrate, which indicated the hydrolytic stability of the bonds formed between the modifier molecules and the substrate. Therefore monoethanolaminoborate can be considered as a non-extractable modifier for wood-cellulose materials.

Vacuum ultraviolet photoelectron spectroscopy of transient species

1981 ◽  
Vol 44 (5) ◽  
pp. 1059-1066 ◽  
Author(s):  
J.M. Dyke ◽  
N.B.H. Jonathan ◽  
A. Morris ◽  
M.J. Winter
Keyword(s):  
Photoelectron Spectroscopy ◽  
Vacuum Ultraviolet ◽  
Ultraviolet Photoelectron Spectroscopy ◽  
Transient Species

scholarly journals Impact of high temperatures on aluminoceladonite studied by Mössbauer, Raman, X-ray diffraction and X-ray photoelectron spectroscopy

2021 ◽  
Author(s):  
Mariola Kądziołka-Gaweł ◽  
Maria Czaja ◽  
Mateusz Dulski ◽  
Tomasz Krzykawski ◽  
Magdalena Szubka
Keyword(s):  
Photoelectron Spectroscopy ◽  
Integral Intensity ◽  
Photoelectron Spectra ◽  
X Ray Diffraction ◽  
Structural Reorganization ◽  
Oh Groups ◽  
X Ray ◽  
Al Content ◽  
Integral Intensity Ratio ◽  
Higher Temperature

AbstractMössbauer, Raman, X-ray diffraction and X-ray photoelectron spectroscopies were used to examine the effects of temperature on the structure of two aluminoceladonite samples. The process of oxidation of Fe2+ to Fe3+ ions started at about 350 °C for the sample richer in Al and at 300 °C for the sample somewhat lower Al-content. Mössbauer results show that this process may be associated with dehydroxylation or even initiate it. The first stage of dehydroxylation takes place at a temperature > 350 °C when the adjacent OH groups are replaced with a single residual oxygen atom. Up to ~500 °C, Fe ions do not migrate from cis-octahedra to trans-octahedra sites, but the coordination number of polyhedra changes from six to five. This temperature can be treated as the second stage of dehydroxylation. The temperature dependence on the integral intensity ratio between bands centered at ~590 and 705 cm−1 (I590/I705) clearly reflects the temperature at which six-coordinated polyhedra are transformed into five-coordinated polyhedra. X-ray photoelectron spectra obtained in the region of the Si2p, Al2p, Fe2p, K2p and O1s core levels, highlighted a route to identify the position of Si, Al, K and Fe cations in a structure of layered silicates with temperature. All the measurements show that the sample with a higher aluminum content and a lower iron content in octahedral sites starts to undergo a structural reorganization at a relatively higher temperature than the less aluminum-rich sample does. This suggests that iron may perform an important role in the initiation of the dehydroxylation of aluminoceladonites.

scholarly journals Photoelectron spectroscopy of the protoporphyrin IX dianion

2021 ◽  
Author(s):  
Jemma Gibbard ◽  
Connor Jack Clarke ◽  
Jan RR Verlet
Keyword(s):  
Photoelectron Spectroscopy ◽  
Femtosecond Lasers ◽  
Protoporphyrin Ix ◽  
Photoelectron Spectra ◽  
Two Dimensional

Two-dimensional photoelectron spectroscopy using nanosecond and femtosecond lasers has been used to study the Protopophyrin IX dianion at photon energies between 1.8 - 4.1 eV. The photoelectron spectra indicated the...

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