Reassignment of the valence photoelectron spectra of nickel diallyl complex Ni(.eta.3-C3H5)2 using variable energy photoelectron spectroscopy

1992 ◽  
Vol 31 (25) ◽  
pp. 5162-5163 ◽  
Author(s):  
Xiaorong Li ◽  
G. M. Bancroft ◽  
R. J. Puddephatt ◽  
Y. F. Hu ◽  
Z. Liu ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Photoelectron Spectra ◽  
Variable Energy

The study of the electronic structure of some N-heterocyclic carbenes (NHCs) by variable energy photoelectron spectroscopy

2015 ◽  
Vol 17 (16) ◽  
pp. 10656-10667 ◽  
Author(s):  
Branka Kovač ◽  
Ivan Ljubić ◽  
Antti Kivimäki ◽  
Marcello Coreno ◽  
Igor Novak
Keyword(s):  
Electronic Structure ◽  
Synchrotron Radiation ◽  
Computational Methods ◽  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Heterocyclic Carbenes ◽  
Photoelectron Spectra ◽  
X Ray ◽  
Variable Energy

UV and X-ray photoelectron spectra of three N-heterocyclic carbenes under synchrotron radiation reveal details of their electronic structure and are used as a benchmark to test computational methods for treating core ionizations in systems with unusual electronic structures.

Variable-energy photoelectron spectroscopy of CpM(CO)3 (M = Mn, Re) and CpFe(CO)2I

1996 ◽  
Vol 74 (11) ◽  
pp. 2240-2249 ◽  
Author(s):  
Yong-Feng Hu ◽  
G. Michael Bancroft ◽  
Kim H. Tan ◽  
John S. Tse ◽  
Dong-Sheng Yang
Keyword(s):  
Synchrotron Radiation ◽  
Transition Metal Complexes ◽  
Photoelectron Spectroscopy ◽  
General Trend ◽  
Resonance Effect ◽  
Photoelectron Spectra ◽  
Ligand Field ◽  
Band Spectra ◽  
Variable Energy ◽  
Good Agreement

Photoelectron spectra of the valence, inner-valence, and core levels of CpM(CO)3 (M = Mn, Re) and CpFe(CO)2I were obtained using He I radiation and synchrotron radiation between 21 eV and 150 eV photon energies. The high-resolution Mn 3p, Fe 3p, and I 4d core level spectra are reported. Broadening of the I 4d spectrum is due to vibrational and ligand field splittings. Observation of the 3p spectra is critical to fully interpreting the np → nd resonance effect in the valence band spectra. This resonance effect is very useful for assigning the metal d orbital bands in the valence spectra. A Xα-SW calculation of CpMn(CO)3 was used to confirm the assignment of the valence and inner-valence orbitals. The experimental and theoretical branching ratios are in good agreement. The general trend of the metal d orbital ionization potentials for CpML3 (M = transition metal) complexes is also discussed. Key words: photoelectron, synchrotron radiation, CpMn(CO)3, CpRe(CO)3, CpFe(CO)2I, np → nd resonance, Xα-SW calculation.

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.

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...

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.

Tautomerism of pyrazoline-5-thione and triazoline-5-thione studied by variable temperature photoelectron spectroscopy

1983 ◽  
Vol 61 (6) ◽  
pp. 1197-1203 ◽  
Author(s):  
Claude Guimon ◽  
Geneviève Pfister-Guillouzo ◽  
Mlkael Begtrup
Keyword(s):  
Gaseous Phase ◽  
Photoelectron Spectroscopy ◽  
Variable Temperature ◽  
Thermal Isomerization ◽  
Photoelectron Spectra ◽  
Planar Form ◽  
Mndo Calculations

Photoelectron spectra at variable temperatures demonstrate that the rate of thermal isomerization of pyrazoline-5-thione (1a) into methylthiopyrazole(s) in the gaseous phase is metal catalysed. Similar isomerizations of triazolethione (2a and 3a) are at best only slightly so.Furthermore, photoelectron spectra and MNDO calculations show that gaseous methylthiopyrazoles (1b and 1c) and methylthiotriazoles (2b and 2c) exist predominantly in planar form for the b isomer and in nonplanar form for the c isomer. The ΔH0 for the rotameric equilibria is 2.7–4.2 kJ•mol−1.

Unraveling Internal Structures of Highly Luminescent PbSe Nanocrystallites Using Variable-Energy Synchrotron Radiation Photoelectron Spectroscopy

2006 ◽  
Vol 110 (31) ◽  
pp. 15244-15250 ◽  
Author(s):  
Sameer Sapra ◽  
J. Nanda ◽  
Jeffrey M. Pietryga ◽  
Jennifer A. Hollingsworth ◽  
D. D. Sarma
Keyword(s):  
Synchrotron Radiation ◽  
Photoelectron Spectroscopy ◽  
Internal Structures ◽  
Variable Energy
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