Towards a Molecular Understanding of Cation-Anion Interactions-Probing the Electronic Structure of Imidazolium Ionic Liquids by NMR Spectroscopy, X-ray Photoelectron Spectroscopy and Theoretical Calculations

2010 ◽  
Vol 16 (30) ◽  
pp. 9018-9033 ◽  
Author(s):  
Till Cremer ◽  
Claudia Kolbeck ◽  
Kevin R. J. Lovelock ◽  
Natalia Paape ◽  
René Wölfel ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ionic Liquids ◽  
Nmr Spectroscopy ◽  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Imidazolium Ionic Liquids ◽  
X Ray

Cyclic Thiouronium Ionic Liquids: Physicochemical Properties and their Electronic Structure Probed by X-Ray Induced Photoelectron Spectroscopy

2012 ◽  
Vol 18 (27) ◽  
pp. 8288-8291 ◽  
Author(s):  
Nicola Taccardi ◽  
Inga Niedermaier ◽  
Florian Maier ◽  
Hans-Peter Steinrück ◽  
Peter Wasserscheid
Keyword(s):  
Electronic Structure ◽  
Ionic Liquids ◽  
Physicochemical Properties ◽  
Photoelectron Spectroscopy ◽  
X Ray

scholarly journals Electronic structure and chemical bond nature in Cs2NpO2Cl4

2017 ◽  
Vol 32 (1) ◽  
pp. 1-9 ◽  
Author(s):  
Yury Teterin ◽  
Konstantin Maslakov ◽  
Mikhail Ryzhkov ◽  
Anton Teterin ◽  
Kirill Ivanov ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Binding Energy ◽  
Energy Range ◽  
Valence Band ◽  
Chemical Bond ◽  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Molecular Orbitals ◽  
X Ray ◽  
Outer Valence

On the basis of the X-ray photoelectron spectroscopy data and results of theoretical calculations for the NpO2Cl4 (D4h) cluster, the electronic structure and the chemical bond nature in , was done in the binding Cs2NpO2Cl4 single crystal, containing the neptunyl group NpO2 energy range of 0 eV to ~35 eV. The filled Np 5f electronic states were established to form in the valence band of Cs2NpO2Cl4. This was attributed to the direct participation of the Np 5f electrons in the chemical bonding. The Np 6p electrons were shown to participate in formation of both the inner valence band (~15 eV-~35 eV) and the outer valence band (0 eV-~15 eV). The filled Np 6p and the O 2s, Cl 3s electronic shells were found to make the largest contribution to the formation of the inner valence molecular orbitals. The molecular orbitals composition and the sequence order in the binding energy range 0 eV-~35 eV in Cs2NpO2Cl4, were established. For the first time the quantitative scheme of molecular orbitals for the NpO2Cl4 cluster in the binding energy range 0 eV-~35 eV, was built. This scheme reflects neptunium close environment in the studied compound and is fundamental for both understanding the chemical bond nature in Cs2NpO2Cl4 and the interpretation of other X-ray spectra of Cs2NpO2Cl4. The contributions to the chemical binding for the NpO2Cl4 cluster were evaluated to be: the outer valence molecular orbitals contribution - 73 %, and the inner valence molecular orbitals contribution - 27 %.

scholarly journals Probing the electronic structure of ether functionalised ionic liquids using X-ray photoelectron spectroscopy

2020 ◽  
Vol 22 (3) ◽  
pp. 1624-1631
Author(s):  
Ejike J. Dick ◽  
Adam E. A. Fouda ◽  
Nicholas A. Besley ◽  
Peter Licence
Keyword(s):  
Electronic Structure ◽  
Ionic Liquids ◽  
Charge Distribution ◽  
Photoelectron Spectroscopy ◽  
X Ray ◽  
Careful Manipulation

The charge distribution associated with individual components in functionalised ionic liquids (ILs) can be tuned by careful manipulation of the substituent groups incorporated into the ions.

scholarly journals Reactions of Carbonyl Compounds in Basic Solutions. Part 351: The Alkaline Hydrolysis and Reactivity – Structure – Spectra Correlations of (Z)-4-(Substituted Benzylidene)-2-Phenyl-4H-Oxazol-5-Ones

2002 ◽  
Vol 2002 (7) ◽  
pp. 309-310 ◽  
Author(s):  
Keith Bowden ◽  
Alexander Perjéssy ◽  
Ján Benko ◽  
Walter M. F. Fabian ◽  
Erkki Kolehmainen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Nmr Spectroscopy ◽  
Alkaline Hydrolysis ◽  
Carbonyl Compounds ◽  
Theoretical Calculations ◽  
X Ray ◽  
Basic Solutions ◽  
Kinetics Of ◽  
Related Compounds

The kinetics of the alkaline hydrolysis and the configuration, conformation and electronic structure were studied using IR, NMR spectroscopy, X-ray analysis and AM1 theoretical calculations for a series of (Z)-4-(substituted benzylidene)-2-phenyl-4H-oxazol-5-ones (1) and compared with analogous results reported for (E)-4-benzylidene-2-phenyl-4H-furan-5-ones (5) and related compounds.

Angle-resolved X-ray photoelectron spectroscopy of the surface of imidazolium ionic liquids

2008 ◽  
Vol 10 (9) ◽  
pp. 1330 ◽  
Author(s):  
Vera Lockett ◽  
Rossen Sedev ◽  
Chris Bassell ◽  
John Ralston
Keyword(s):  
Ionic Liquids ◽  
Photoelectron Spectroscopy ◽  
Imidazolium Ionic Liquids ◽  
X Ray

Mixed Metal Oxide Interfaces: An Experimental and Theoretical Assessment of Secondary Metal Influences in Metal Impregnated Aluminas

1994 ◽  
Vol 368 ◽  
Author(s):  
M. Malaty ◽  
D. Singh ◽  
R. Schaeffer ◽  
S. Jansen ◽  
S. Lawrence
Keyword(s):  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Mixed Metal Oxide ◽  
X Ray Diffraction ◽  
Paramagnetic Resonance ◽  
X Ray ◽  
Mixed Metal ◽  
Metal Interactions ◽  
Metal Metal ◽  
Bimetallic System

ABSTRACTStudies of the mixed-metal interface in metal impregnated alumina have indicated the possibility of much metal-metal and metal-substrate interaction. Studies were carried out on NiCu/Al2O3 system which was evaluated to develop a better understanding of the forces that drive modification of the catalytic selectivity of Ni in the presence of Cu. Electron Paramagnetic Resonance (EPR), Powder X-ray Photoelectron Spectroscopy (XPS), X-ray Diffraction (XRD) and theoretical calculations were carried out on this bimetallic system, using Ni,Ag/Al2O3 as a reference as Ni shows negligible electron perturbation on co-adsorbance with Ag onto alumina. XRD results indicate that gross modification of the electronic fields of Ni and Cu are due to direct coupling and intercalation into the alumina matrix. As a result of this phenomena, these materials may form a good base for the development of novel ceramics based on mixed-metal interactions where the intermetallic perturbations are driven by the substrate effects.

A study of the FeX (X=Si, Ge) system electronic structure by X-ray photoelectron spectroscopy

2000 ◽  
Vol 447 (1-3) ◽  
pp. 112-116 ◽  
Author(s):  
I.N. Shabanova ◽  
V.I. Kormilets ◽  
L.D. Zagrebin ◽  
N.S. Terebova
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
X Ray
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