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.

Characterisation of the electronic structure of some stable nitroxyl radicals using variable energy photoelectron spectroscopy

2014 ◽  
Vol 16 (22) ◽  
pp. 10734-10742 ◽  
Author(s):  
Branka Kovač ◽  
Ivan Ljubić ◽  
Antti Kivimäki ◽  
Marcello Coreno ◽  
Igor Novak
Keyword(s):  
Electronic Structure ◽  
Synchrotron Radiation ◽  
Photoelectron Spectroscopy ◽  
Nitroxyl Radicals ◽  
Intramolecular Interactions ◽  
Stable Nitroxyl Radicals ◽  
Amide Derivatives ◽  
Variable Energy

Core and valence ionizations of three stable nitroxyl radicals studied using synchrotron radiation reveal strong intramolecular interactions in amide derivatives.

XPS Spectra and Optical Reflectivity of Yttrium Stabilised Zirconia

1992 ◽  
Vol 293 ◽  
Author(s):  
P. Camagni ◽  
L.E. Depero ◽  
F. Parmigiani ◽  
G. Samoggia ◽  
L. Sangaletri ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Synchrotron Radiation ◽  
Energy Range ◽  
Single Crystals ◽  
Valence Band ◽  
Conduction Band ◽  
Photoelectron Spectroscopy ◽  
Electron Excitation ◽  
Xps Spectra ◽  
X Ray

AbstractX-ray photoelectron spectroscopy measurements and synchrotron radiation reflectivity and measurements in the photon energy range between 5eV and 30 eV are reported for yttrium stabilised zirconia single crystals. From the present data some behaviour of the valence band and conduction band electronic structure are elucidated. Two features present in the valence band XPS spectra, not explained on the basis of one-clectron theory, are tentatively assigned to simultaneous two electron excitation.

Determination of Bond Lengths and Electronic Structure of Cd1-xZnxTe Ternary Alloys by Synchrotron Radiation

2013 ◽  
Vol 706-708 ◽  
pp. 56-59 ◽  
Author(s):  
Wei Zheng ◽  
Yu Li Wu ◽  
Yen Ting Chen ◽  
Zhe Chuan Feng ◽  
Jyh Fu Lee ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Fine Structure ◽  
Synchrotron Radiation ◽  
Electronic Structures ◽  
Ternary Alloys ◽  
Chemical Bonds ◽  
Edge Structure ◽  
X Ray ◽  
X Ray Absorption

High-resolution synchrotron radiation x-ray absorption spectroscopy on Zn K-, Cd L3- and Te L3-edges for Cd1-xZnxTe ternary alloys with x = 0.10, 0.30, 0.50 and 0.90 are presented. A detailed analysis of the extended x-ray absorption fine structure using the IFEFFIT program, and the chemical bonds of Zn-Te are obtained, suggesting distortion of the Te sub-lattice. The x-ray absorption near-edge structure of the Zn K-, Cd L3- and Te L3-edge are investigated, and the electronic structures of Cd1-xZnxTe with various compositions are studied.

Electronic state analysis of Li2RuO3 positive electrode for lithium ion secondary battery

2020 ◽  
Vol 34 (07n09) ◽  
pp. 2040024
Author(s):  
Masatsugu Oishi ◽  
Ryoshi Imura ◽  
Tomoyuki Ueki ◽  
Keiji Shimoda ◽  
Hirona Yamagishi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Local Structure ◽  
Lithium Ion ◽  
Oxide Material ◽  
X Ray ◽  
Secondary Battery ◽  
Li Ion ◽  
X Ray Absorption

An investigation was made on the electronic structure of 4d transition metal layered oxide material of Li2RuO3 using X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The intensity of O [Formula: see text] pre-edge peak increased for Li ion extracted samples, suggesting increased ligand holes. The Ru 3d XPS spectrum suggested the variation of local structure around Ru ions by extraction of Li ions. We conclude that the delithiation from Li2RuO3 is charge compensated by O anions, and that the creation of the ligand holes reorganizes electronic structures composed of highly hybridized Ru 4d and O 2p orbitals.

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 LiquidJet PES: Soft X-ray Photoelectron Spectroscopy from Aqueous Solution end-station at BESSY II

2017 ◽  
Vol 3 ◽  
Author(s):  
Bernd Winter
Keyword(s):  
Aqueous Solution ◽  
Electronic Structure ◽  
Synchrotron Radiation ◽  
Aqueous Solutions ◽  
Liquid Water ◽  
Photoelectron Spectroscopy ◽  
Vacuum Chamber ◽  
Glass Capillary ◽  
X Ray ◽  
Liquid Microjets

The LiquidJet PES apparatus is a specialized end-station at the synchrotron radiation facility BESSY II, Berlin, for studying the electronic structure of liquid water, aqueous and non-aqueous solutions with soft X-ray photoelectron spectroscopy. Targets are liquid microjets that are introduced into a vacuum chamber via a ~20 µm glass capillary.

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 Electronic Structure of n-Cycloparaphenylenes Directly Observed by Photoemission Spectroscopy

2021 ◽  
Author(s):  
Kaname Kanai ◽  
Takuya Inoue ◽  
Takaya Furuichi ◽  
Kaito Shinoda ◽  
Takashi Iwahashi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Structures ◽  
Photoemission Spectroscopy ◽  
Cyclic Structure ◽  
Visible Absorption ◽  
X Ray ◽  
Inverse Photoemission

A series of n-cycloparaphenylenes ([n]CPP) were studied by ultraviolet photoemission, inverse photoemission, ultraviolet-visible absorption, and X-ray photoemission spectroscopy to detect their unique electronic structures. [n]CPP has a cyclic structure in...

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