Dioxygen Binding to Deoxyhemocyanin:  Electronic Structure and Mechanism of the Spin-Forbidden Two-Electron Reduction of O2

2001 ◽  
Vol 123 (21) ◽  
pp. 4938-4950 ◽  
Author(s):  
Markus Metz ◽  
Edward I. Solomon
Keyword(s):  
Electronic Structure ◽  
Electron Reduction

One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical

2020 ◽  
Vol 56 (60) ◽  
pp. 8416-8419
Author(s):  
Amanda Grass ◽  
James A. Bellow ◽  
Gregory Morrison ◽  
Hans-Conrad zur Loye ◽  
Richard L. Lord ◽  
...  
Keyword(s):  
Electronic Structure ◽  
High Spin ◽  
Ligand Environment ◽  
Electron Reduction ◽  
High Valent

Synthesis, electronic structure, and reactivity of a novel Co(ii) carbene radical in the bis(alkoxide) ligand environment are reported.

Ab Initio Electronic Structure Study of One-Electron Reduction of Polychlorinated Ethylenes

2005 ◽  
Vol 109 (26) ◽  
pp. 5905-5916 ◽  
Author(s):  
Eric J. Bylaska ◽  
Michel Dupuis ◽  
Paul G. Tratnyek
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Structure Study ◽  
Electron Reduction ◽  
Ab Initio Electronic Structure

One-Electron Reduction of Substituted Chlorinated Methanes As Determined from ab Initio Electronic Structure Theory

2002 ◽  
Vol 106 (47) ◽  
pp. 11581-11593 ◽  
Author(s):  
Eric J. Bylaska ◽  
David A. Dixon ◽  
Andrew R. Felmy ◽  
Paul G. Tratnyek
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Electronic Structure Theory ◽  
Structure Theory ◽  
Electron Reduction ◽  
Chlorinated Methanes ◽  
Ab Initio Electronic Structure

Studies on the electronic structure of thiolate-bridged diiron complexes and their single-electron reduction reactions

2016 ◽  
Vol 660 ◽  
pp. 117-122 ◽  
Author(s):  
Si Chen ◽  
Yang Li ◽  
Dawei Yang ◽  
Lun Luo ◽  
Jingping Qu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Single Electron ◽  
Reduction Reactions ◽  
Electron Reduction

The effect of the electronic structure of the donor on the kinetics of the one-electron reduction of phenoxyl radicals

1976 ◽  
Vol 11 (2) ◽  
pp. 196-198
Author(s):  
V. D. Pokhodenko ◽  
V. A. Khizhnyi ◽  
V. A. Samarskii
Keyword(s):  
Electronic Structure ◽  
Phenoxyl Radicals ◽  
Electron Reduction ◽  
The One ◽  
Kinetics Of

Electronic structure and absorption spectra of products from single-electron reduction of derivatives of 4,4?-dipyridyl

1988 ◽  
Vol 23 (6) ◽  
pp. 699-704 ◽  
Author(s):  
I. P. Krainov ◽  
O. M. Tsyguleva ◽  
S. F. Kramarenko
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
Single Electron ◽  
Electron Reduction ◽  
Derivatives Of

Structural consequences of the one-electron reduction of d4[Mo(CO)2(η-PhCCPh)Tp′]+and the electronic structure of the d5radicals [M(CO)L(η-MeCCMe)Tp′] {L = CO and P(OCH2)3CEt}

2006 ◽  
pp. 3466-3477 ◽  
Author(s):  
Christopher J. Adams ◽  
Ian M. Bartlett ◽  
Supakorn Boonyuen ◽  
Neil G. Connelly ◽  
David J. Harding ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electron Reduction ◽  
The One

EELS Measurement of the Local Electronic Structure of Copper Atoms Segregated to Aluminum Grain Boundaries

1996 ◽  
Vol 54 ◽  
pp. 342-343
Author(s):  
S.J. Splinter ◽  
J. Bruley ◽  
P.E. Batson ◽  
D.A. Smith ◽  
R. Rosenberg
Keyword(s):  
Electronic Structure ◽  
Grain Boundaries ◽  
Boundary Segregation ◽  
Thin Layers ◽  
Nominal Composition ◽  
Spatially Resolved ◽  
Service Lifetime ◽  
Heat Treated ◽  
Probe Size ◽  
Local Electronic Structure

It has long been known that the addition of Cu to Al interconnects improves the resistance to electromigration failure. It is generally accepted that this improvement is the result of Cu segregation to Al grain boundaries. The exact mechanism by which segregated Cu increases service lifetime is not understood, although it has been suggested that the formation of thin layers of θ-CuA12 (or some metastable substoichiometric precursor, θ’ or θ”) at the boundaries may be necessary. This paper reports measurements of the local electronic structure of Cu atoms segregated to Al grain boundaries using spatially resolved EELS in a UHV STEM. It is shown that segregated Cu exists in a chemical environment similar to that of Cu atoms in bulk θ-phase precipitates.Films of 100 nm thickness and nominal composition Al-2.5wt%Cu were deposited by sputtering from alloy targets onto NaCl substrates. The samples were solution heat treated at 748K for 30 min and aged at 523K for 4 h to promote equilibrium grain boundary segregation. EELS measurements were made using a Gatan 666 PEELS spectrometer interfaced to a VG HB501 STEM operating at 100 keV. The probe size was estimated to be 1 nm FWHM. Grain boundaries with the narrowest projected width were chosen for analysis. EDX measurements of Cu segregation were made using a VG HB603 STEM.

Electronic structure studies of conducting polymers by electron energy-loss spectroscopy

1996 ◽  
Vol 54 ◽  
pp. 160-161
Author(s):  
J. Fink
Keyword(s):  
Electronic Structure ◽  
Conducting Polymers ◽  
Conjugated Polymers ◽  
Electron Acceptors ◽  
Electron Donors ◽  
Light Emitting ◽  
One Dimensional ◽  
New Class ◽  
Electrical Conductivities ◽  
Electron Energy Loss

Conducting polymers comprises a new class of materials achieving electrical conductivities which rival those of the best metals. The parent compounds (conjugated polymers) are quasi-one-dimensional semiconductors. These polymers can be doped by electron acceptors or electron donors. The prototype of these materials is polyacetylene (PA). There are various other conjugated polymers such as polyparaphenylene, polyphenylenevinylene, polypoyrrole or polythiophene. The doped systems, i.e. the conducting polymers, have intersting potential technological applications such as replacement of conventional metals in electronic shielding and antistatic equipment, rechargable batteries, and flexible light emitting diodes.Although these systems have been investigated almost 20 years, the electronic structure of the doped metallic systems is not clear and even the reason for the gap in undoped semiconducting systems is under discussion.

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