Ferrous Complexes with Bis (Meo) in Α-Substituted Tris (Pyridin-2-Ylmethyl) Amine Ligands: Effect of the Bis (Meo) in Α- Substituents in Dioxygen Activation and Biomimetic Reactivity

Indian Journal of Advanced Chemistry ◽

10.54105/ijac.b2009.101221 ◽

2021 ◽

pp. 20-26

Author(s):

Dr. Nasser K Thallaj ◽

Keyword(s):

Electronic Properties ◽

Metal Center ◽

Electron Donors ◽

Dioxygen Activation ◽

Oxidation Reactions ◽

New Type ◽

Amine Ligands ◽

Major Oxidation

This report describes how the coordination of FeCl2 with tris(pyridin-2-ylmethyl)amine (TPA) ligands offers the possibilty to activate the molecular dioxygen in biomimetic processes. . It includes all procedures taken to the case for major oxidation reactions carried out in Nature under particular conditions. The aim of the this paper is to present the outcome of a thorough study for complex coordinations with ligands substituted by groups known as electron donors. It demonstrates how ligands with methoxy substituents are likely to be demethylated, and therefore providing entities potentially useful in synthesis. Targeting in modulating the electronic properties at the metal center, a new type of ligand (MeO)2TPA has been prepared and the complex of (MeO)2TPAFeCl2 has been studied by uv-visble ; 1H RMN paramagnatic and conductometry. The effect of (MeO) group in α-substituted on the structure as well as the effect of substitution on the oxygenation of the complex has been verified. Afterwards, the reactivity of the complex towards molecular dioxygen in absence of substrat is checked by uv-visble, 1H RMN paramagnatic and radiocristallography. As well, the reactivity in presence of substrat is tested.

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Ferrous Complexes with Bis Meo in Α Substituted Tris Pyridin 2 Ylmethyl Amine Ligands Effect of the Bis Meo in Α Substituents in Dioxygen Activation and Biomimetic Reactivity

Indian Journal of Advanced Chemistry ◽

10.35940/ijac.b2009.101221 ◽

2021 ◽

Vol 1 (2) ◽

pp. 1-2

Author(s):

Dr. Nasser K Thallaj* ◽

Keyword(s):

Electronic Properties ◽

Metal Center ◽

Electron Donors ◽

Dioxygen Activation ◽

Oxidation Reactions ◽

New Type ◽

Amine Ligands ◽

Major Oxidation

This report describes how the coordination of FeCl2 with tris(pyridin-2-ylmethyl)amine (TPA) ligands offers the possibilty to activate the molecular dioxygen in biomimetic processes. . It includes all procedures taken to the case for major oxidation reactions carried out in Nature under particular conditions. The aim of the this paper is to present the outcome of a thorough study for complex coordinations with ligands substituted by groups known as electron donors. It demonstrates how ligands with methoxy substituents are likely to be demethylated, and therefore providing entities potentially useful in synthesis. Targeting in modulating the electronic properties at the metal center, a new type of ligand (MeO)2TPA has been prepared and the complex of (MeO)2TPAFeCl2 has been studied by uv-visble ; 1H RMN paramagnatic and conductometry. The effect of (MeO) group in α-substituted on the structure as well as the effect of substitution on the oxygenation of the complex has been verified. Afterwards, the reactivity of the complex towards molecular dioxygen in absence of substrat is checked by uvvisble, 1H RMN paramagnatic and radiocristallography. As well, the reactivity in presence of substrat is tested.

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Interactions of nitric oxide and organic nitroso compounds with metalloporphyrins and heme

Journal of Porphyrins and Phthalocyanines ◽

10.1002/(sici)1099-1409(200006/07)4:4<354::aid-jpp240>3.0.co;2-v ◽

2000 ◽

Vol 04 (04) ◽

pp. 354-357 ◽

Cited By ~ 7

Author(s):

GEORGE B. RICHTER-ADDO

Keyword(s):

Nitric Oxide ◽

Excited State ◽

Electronic Properties ◽

Ground State ◽

Bond Formation ◽

Metal Center ◽

Nitroso Compounds ◽

Model Compounds ◽

Axial Ligands ◽

Metal Nitrosyls

The chemistry of nitric oxide (NO) has taken on new dimensions since the discovery, about a decade ago, of a myriad of biological events that NO participates in. Many of the foundations of metal-NO chemistry were laid out earlier by inorganic chemists and biochemists investigating the structures and electronic properties of the heme-NO moiety or its model compounds. Certainly, the persistent work over the last three decades by chemists working with metal nitrosyls has paid off. Current areas of research in heme-NO chemistry include (i) how the NO group approaches and binds to the metal center (or how it dissociates from the metal center); (ii) the ground state and excited state geometries of the metal-NOfragment; (iii) effects of the trans axial ligands on NO orientation and/or dissociation; and (iv) N-N bond formation from NO molecules catalyzed by heme groups.

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Theoretical Prediction of the Structural and Electronic Properties of a Single Layer Graphene-like Two-dimensional Janus GaInSTe

VNU Journal of Science Mathematics - Physics ◽

10.25073/2588-1124/vnumap.4408 ◽

2021 ◽

Vol 37 (2) ◽

Author(s):

Nguyen Van Chuong ◽

Nguyen Ngoc Hieu ◽

Nguyen Van Hieu

Keyword(s):

Electric Field ◽

Band Gap ◽

Electronic Properties ◽

Single Layer ◽

Single Layer Graphene ◽

Two Dimensional ◽

Direct Band Gap ◽

Structural And Electronic Properties ◽

Direct Band ◽

New Type

This paper constructs a new type of two-dimensional graphene-like Janus GaInSTe monolayer and systematically investigates its structural and electronic properties as well as the effect of external electric field using first-principles calculations. In the ground state, Janus GaInSTe monolayer is dynamically stable with no imaginary frequencies in its phonon spectrum and possesses a direct band gap semiconductor. The band gap of Janus GaInSTe monolayer can be tuned by applying an electric field, which leads the different transitions from semiconductor to metal, and from indirect to direct band gap. These findings show a great potential application of Janus GaInSTe material for designing next-generation devices.

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Single-atom catalysts cathode for lithium-Oxygen batteries：A review

Nano Futures ◽

10.1088/2399-1984/ac3ec1 ◽

2021 ◽

Author(s):

Xin Lei ◽

Bo Liu ◽

Payam Ahmadian Koudakan ◽

Hongge Pan ◽

Yitai Qian ◽

...

Keyword(s):

Structural Feature ◽

Electronic Properties ◽

Electrocatalytic Activity ◽

Active Sites ◽

High Stability ◽

High Oxygen ◽

Single Atom ◽

Cathode Catalysts ◽

New Type ◽

Lithium Oxygen Batteries

Abstract Recently, single-atom catalysts (SACs) have been found to be one of the promising candidates for oxygen electrocatalysis in rechargeable lithium-oxygen batteries (LOBs), owing to their high oxygen electrocatalytic activity and high stability originated from their unique coordination environments and electronic properties. As a new type of catalysts for LOBs, the advancements have never been reviewed and discussed comprehensively. Herein, the breakthroughs in the design of various types of SACs as the cathode catalysts for LOBs are summarized, including Co-based, Ru-based, and other types of SACs. Moreover, considerable emphasis is placed on the correlations between the structural feature of the SAC active sites and the electrocatalytic performance of LOBs. Finally, perspective and challenges of SACs for practical LOBs are also provided. This review could provide an intensive understanding of SACs for designing efficient oxygen electrocatalysis and offers a useful guideline for the development of SACs in the field of LOBs.

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Pyroelectric Effect Mediated Infrared Photoresponse in Bi2Te3/Pb(Mg1/3Nb2/3)O3-PbTiO3 Optothermal Ferroelectric Field-Effect Transistors

Nanoscale ◽

10.1039/d1nr06863f ◽

2021 ◽

Author(s):

R. Zheng ◽

Ming-Yuan Yan ◽

C. Li ◽

S.Q. Yin ◽

W.D. Chen ◽

...

Keyword(s):

Electronic Properties ◽

Field Effect ◽

Field Effect Transistors ◽

Field Stimulation ◽

Thermal Modulation ◽

Pyroelectric Effect ◽

Materials Properties ◽

New Type

The responses of materials properties to multi-field stimulation are often exploited to construct new type multi-functional devices. Here, we demonstrate electric-optical-thermal modulation of the electronic properties of optothermal ferroelectric field-effect...

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Chelate complexes of cobalt(III) with bis(dithiolate) ligands: backbone influence on the electronic properties and the reactivity of the metal center

Journal of the Chemical Society Dalton Transactions ◽

10.1039/a900578a ◽

1999 ◽

pp. 2237-2242 ◽

Cited By ~ 13

Author(s):

Wolfram W. Seidel ◽

F. Ekkehardt Hahn

Keyword(s):

Electronic Properties ◽

Metal Center ◽

Chelate Complexes

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N‐Heterocyclic Olefins as Electron Donors in Combination with Triarylborane Acceptors: Synthesis, Optical and Electronic Properties of D–π–A Compounds

Chemistry - A European Journal ◽

10.1002/chem.201903118 ◽

2019 ◽

Vol 25 (60) ◽

pp. 13777-13784 ◽

Cited By ~ 6

Author(s):

Jiang He ◽

Florian Rauch ◽

Alexandra Friedrich ◽

Daniel Sieh ◽

Tatjana Ribbeck ◽

...

Keyword(s):

Electronic Properties ◽

Electron Donors ◽

Optical And Electronic Properties

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Comparative Study on Surface Structure, Electronic Properties of Sulfide and Oxide Minerals: A First-Principles Perspective

Minerals ◽

10.3390/min9060329 ◽

2019 ◽

Vol 9 (6) ◽

pp. 329

Author(s):

Weiyong Cui ◽

Yibing Zhang ◽

Jianhua Chen ◽

Cuihua Zhao ◽

Yuqiong Li ◽

...

Keyword(s):

Surface Structure ◽

Electronic Properties ◽

First Principles ◽

Chemical Potential ◽

Electron Donors ◽

Surface Relaxation ◽

Oxide Surfaces ◽

Oxide Surface ◽

First Principle ◽

Oxide Minerals

First-principle calculations were used to investigate the surface structure and electronic properties of sulfide (pyrite, galena, and sphalerite) and oxide minerals (hematite, cerussite, and smithsonite). Surface relaxation and Femi energy, as well as projected DOS, are considered. Results show that the surface atoms of the sulfide minerals are more susceptible and more easily affected by the fracture bonds. The sulfide surfaces possess higher chemical potential than the corresponding oxide surfaces, and are more likely to be electron donors in reactions. The S 3p states are the mainly contributing states in the sulfide surface, while that in the oxide surface are O 2p states. The bonds of the sulfide surface have more covalent features and that of the oxide surface are ionic interactions. The O–M (M represents Fe, Pb or Zn) bonds are more stable, as the DOS of the oxide surfaces distribute in the lower energy range.

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