scholarly journals Synthese, Molekül-und Elektronenstruktur eines Radikal-Kationkomplexes [Cr(CO)4(Carben)2]+ / Synthesis, Molecular and Electronic Structure of a Radical Cationic Complex [Cr(CO)4(Carbene)2]+

1983 ◽  
Vol 38 (11) ◽  
pp. 1313-1324 ◽  
Author(s):  
Klaus Ackermann ◽  
Peter Hofmann ◽  
Frank H. Köhler ◽  
Hans Kratzer ◽  
Herbert Krist ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Molecular Orbital Calculations ◽  
Cationic Complex ◽  
Carbene Ligands ◽  
Carbene Complexes ◽  
One Step ◽  
Chromium Compounds ◽  
First Time ◽  
Molecular And Electronic Structure ◽  
Cation Complexes

Abstract A new one-step synthesis for bis-carbene complexes cis-M(CO)4L2 (M = Cr, Mo, W) containing cyclic carbene ligands L has been developed. These compounds can be oxidized by ferrocenium salts to paramagnetic cation complexes [M(CO)4L2]+ which, for M = Cr, are isolable in the form of their PF6 salts. The chromium compounds with L= 1,3-dimethyl-4-imidazolin-2-ylidene permit for the first time a structural and spectroscopic comparison of a diamagnetic carbene complex with the corresponding paramagnetic cation; the experimental facts are interpreted by molecular orbital calculations.

The molecular and electronic structure of an unusual cobalt NNO pincer ligand complex

2019 ◽  
Vol 48 (21) ◽  
pp. 7378-7387 ◽  
Author(s):  
Jitendrasingh Rajpurohit ◽  
Maheswaran Shanmugam
Keyword(s):  
Electronic Structure ◽  
Analytical Techniques ◽  
Binding Mode ◽  
Ligand Complex ◽  
Pincer Ligand ◽  
Cobalt Ions ◽  
First Time ◽  
Molecular And Electronic Structure

An NNO pincer ligand is reduced by three electrons which are stabilized by the mixed-valent cobalt ions, which is extremely rare and structurally characterized with unusual binding mode of pyridine, for the first time. The accurate electronic structure of the complex was determined by various analytical techniques such as XPS, SQUID, EPR etc.

One-step synthesis, electronic structure, and photocatalytic activity of earth-abundant visible-light-driven FeAl2O4

2017 ◽  
Vol 19 (14) ◽  
pp. 9392-9401 ◽  
Author(s):  
Hui-Ying Mu ◽  
Fa-Tang Li ◽  
Xing-Tao An ◽  
Rui-Hong Liu ◽  
Yi-Lei Li ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
Earth Abundant ◽  
Visible Light Driven ◽  
One Step ◽  
First Time

An inexpensive FeAl2O4 photocatalyst is developed via one-step synthesis and its electronic structure is given for the first time.

Molecular and electronic structure of an azidocobalt(iii) complex derived from X-ray crystallography, linear spectroscopy and quantum chemical calculations

2019 ◽  
Vol 21 (36) ◽  
pp. 20393-20402 ◽  
Author(s):  
Luis I. Domenianni ◽  
Reinhold Fligg ◽  
Annett Schäfermeier ◽  
Steffen Straub ◽  
Julia Beerhues ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Quantum Chemical ◽  
Electronic Spectroscopy ◽  
X Ray Diffraction ◽  
Cationic Complex ◽  
X Ray ◽  
X Ray Crystallography ◽  
Molecular And Electronic Structure

X-ray diffraction, UV/Vis electronic spectroscopy and Fourier-transform infrared spectroscopy are used with DFT and CAS calculations to explore the molecular and electronic structure of the cationic complex (cyclam)(diazido)cobalt(iii).

New Insights into the Nature of the Band Gap of CuGeO3 Nanoparticles: Synthesis, Electronic Structure, and Optical and Photocatalytic Properties

2019 ◽  
Author(s):  
Victor Y. Suzuki ◽  
Luís Henrique Cardozo Amorin ◽  
Natália H. de Paula ◽  
Anderson R. Albuquerque ◽  
Julio Ricardo Sambrano ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Material Design ◽  
Photocatalytic Properties ◽  
Critical Parameters ◽  
Synthetic Approach ◽  
Microwave Assisted ◽  
Theoretical Approaches ◽  
Nanoparticles Synthesis ◽  
First Time

<p>We report, for the first time, new insights into the nature of the band gap of <a>CuGeO<sub>3</sub> </a>(CGO) nanocrystals synthesized from a microwave-assisted hydrothermal method in the presence of citrate. To the best of our knowledge, this synthetic approach has the shortest reaction time and it works at the lowest temperatures reported in the literature for the preparation of these materials. The influence of the surfactant on the structural, electronic, optical, and photocatalytic properties of CGO nanocrystals is discussed by a combination of experimental and theoretical approaches, and that results elucidates the nature of the band gap of synthetized CGO nanocrystals. We believe that this particular strategy is one of the most critical parameters for the development of innovative applications and that result could shed some light on the emerging material design with entirely new properties.</p> <p><b> </b></p>

Redox Potential - (Electronic) Structure Relationships in 18- and 17-Electron Mononitrile (or Monocarbonyl) Diphosphine Complexes of Re and Fe

2001 ◽  
Vol 66 (1) ◽  
pp. 139-154 ◽  
Author(s):  
M. Fátima C. Guedes Da Silva ◽  
Luísa M. D. R. S. Martins ◽  
João J. R. Fraústo Da Silva ◽  
Armando J. L. Pombeiro
Keyword(s):  
Cyclic Voltammetry ◽  
Electronic Structure ◽  
Binding Sites ◽  
Closed Shell ◽  
Carbonyl Complexes ◽  
Metal Centre ◽  
Pt Electrode ◽  
Metal Site ◽  
Oxidation Potentials ◽  
First Time

The organonitrile or carbonyl complexes cis-[ReCl(RCN)(dppe)2] (1) (R = 4-Et2NC6H4 (1a), 4-MeOC6H4 (1b), 4-MeC6H4 (1c), C6H5 (1d), 4-FC6H4 (1e), 4-ClC6H4 (1f), 4-O2NC6H4 (1g), 4-ClC6H4CH2 (1h), t-Bu (1i); dppe = Ph2PCH2CH2PPh2), or cis-[ReCl(CO)(dppe)2] (2), as well as trans-[FeBr(RCN)(depe)2]BF4 (3) (R = 4-MeOC6H4 (3a), 4-MeC6H4 (3b), C6H5 (3c), 4-FC6H4 (3d), 4-O2NC6H4 (3e), Me (3f), Et (3g), 4-MeOC6H4CH2 (3h); depe = Et2PCH2CH2PEt2), novel trans-[FeBr(CO)(depe)2]BF4 (4) and trans-[FeBr2(depe)2] (5) undergo, as revealed by cyclic voltammetry at a Pt-electrode and in aprotic non-aqueous medium, two consecutive reversible or partly reversible one-electron oxidations assigned as ReI → ReII → ReIII or FeII → FeIII → FeIV. The corresponding values of the oxidation potentials IE1/2ox and IIE1/2ox (waves I and II, respectively) correlate with the Pickett's and Lever's electrochemical ligand and metal site parameters. This allows to estimate these parameters for the various nitrile ligands, depe and binding sites (for the first time for a FeIII/IV couple). The electrochemical ligand parameter show dependence on the "electron-richness" of the metal centre. The values of IE1/2ox for the ReI complexes provide some supporting for a curved overall relationship with the sum of Lever's electrochemical ligand parameter. The Pickett parametrization for closed-shell complexes is extended now also to 17-electron complexes, i.e. with the 15-electron ReII and FeIII centres in cis-{[ReCl(dppe)2]}+ and trans-{FeBr(depe)2}2+, respectively.

scholarly journals Electrochromic Performance and Capacitor Performance of α-MoO3 Nanorods Fabricated by a One-Step Procedure

Coatings ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 783
Author(s):  
Ying Duan ◽  
Chen Wang ◽  
Jian Hao ◽  
Yang Jiao ◽  
Yanchao Xu ◽  
...  
Keyword(s):  
Growth Parameters ◽  
Average Diameter ◽  
Fast Response ◽  
Cycle Stability ◽  
Electrochromic Devices ◽  
Step Procedure ◽  
One Step ◽  
Supercapacitor Performance ◽  
First Time ◽  
Prepared Nanorods

In this paper, we propose for the first time the synthesis of α-MoO3 nanorods in a one-step procedure at mild temperatures. By changing the growth parameters, the microstructure and controllable morphology of the resulting products can be customized. The average diameter of the as-prepared nanorods is about 200 nm. The electrochromic and capacitance properties of the synthesized products were studied. The results show that the electrochromic properties of α-MoO3 nanorods at 550 nm have 67% high transmission contrast, good cycle stability and fast response time. The MoO3 nanorods also exhibit a stable supercapacitor performance with 98.5% capacitance retention after 10,000 cycles. Although current density varies sequentially, the nanostructure always exhibits a stable capacitor to maintain 100%. These results indicate the as-prepared MoO3 nanorods may be good candidates for applications in electrochromic devices and supercapacitors.

Synthesis of uranium complexes incorporating extended azo-imine ligands: Molecular and electronic structure

2021 ◽  
pp. 100049
Author(s):  
Poulami Pattanayak ◽  
Sankar Prasad Parua ◽  
Debprasad Patra ◽  
Ashoke Prasun Chattopadhyay ◽  
Surajit Chattopadhyay
Keyword(s):  
Electronic Structure ◽  
Uranium Complexes ◽  
Imine Ligands ◽  
Molecular And Electronic Structure

One-step synthesis of well-dispersed polypyrrole copolymers under gamma-ray irradiation

2021 ◽  
Vol 12 (5) ◽  
pp. 645-649
Author(s):  
Yu Gu ◽  
Yuqing Qiao ◽  
Yusen Meng ◽  
Ming Yu ◽  
Bowu Zhang ◽  
...  
Keyword(s):  
Room Temperature ◽  
Gamma Ray ◽  
Gamma Ray Irradiation ◽  
One Step ◽  
First Time

Herein, we report for the first time the synthesis of polypyrrole copolymers with good solvent-dispersibility under gamma-ray irradiation at room temperature in air.

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