The differences and similarities between calculated atomic charge and formal oxidation state in transition metal complexes are discussed in the light of density functional theory calculations on a variety of four-coordinate complexes. It is shown that the oxidation state formalism provides a framework fo...
enabling control over nanoscale morphology and the stabilization of Cu+at negative potentials. CO2reduction experiments, in situ X-ray spectroscopy and density functional theory simulations revealed the beneficial interplay between sharp morphologies and Cu+oxidation state. The catalyst exhibits a partial et...
A study of high-oxidation-state complexes of the type [W(.eta.5-C5Me5)Me2X]2(.mu.-N2), including x-ray structures of [W(.eta.5-C5Me5)Me2(OC6F5)]2(.mu.-N2) ... A study of high-oxidation-state complexes of the type [W(.eta.5-C5Me5)Me2X]2(.mu.-N2), including x...
In the recent past our group has presented a topological model for the structure of the tetranuclear Mn cluster, the oxidation state assignments of the S-states of the Kok cycle, the orientation of the Mn-Mn vectors relative to the membrane normal, and evidence for the proximity of Ca to ...
2.6), SoxCD catalyzes the six-electron oxidation of protein-bound sulfane–sulfur (oxidation state − 1) to sulfone–sulfur (+ 5) and electrons are transferred to small periplasmic cytochromes c. Notably, the Sox system lacking SoxCD still oxidizes sulfite, showing that SoxCD is not ...
The new allowed valence states for Cl are a good illustration of why this is problematic: we added the new valence state in order to be able to have the RDKit handle ClF3 by default. That's certainly not a pleasant compound, but it's a real one. The problem is that we now also ...
The known nickel(III) complexes [Ni(PR 3) 2X 3]) (X = Cl, Br) with monodentate phosphines (PMe 3, PEt 3, P nBu 3, PMe 2Ph X = Br only) have been reexamined, some being obtaines in a pure state for the first time. New complexes with PMe 2Ph, PEt 2Ph and PMePh 2 are...
1. The oxidation number of an element in its free state is zero. Example: The oxidation number of Zn, Al, H2, O2, and Cl2 is zero 2. The oxidation number of a monatomic ion is the same as the charge on the ion. Example: The oxidation number of Na+ is +1, Mg2+ is +2, Al...
To date, the effect of oxidation state on activity remains controversial in whether higher or lower oxidation states benefit the enhancement of catalytic activity. Herein, we discover a volcanic relationship between oxidation state and hydrogen evolution
--Iowa State University, 1970. Includes bibliographical references. Magat,W Jamlang 被引量: 0发表: 0年 Oxidation of Isopropylcyclopropane by Chromyl Chloride: Ring-Opened Products Support a Hydrogen Atom Abstraction Mechanism. Chromyl chloride (CrO2Cl2) reacts with neat isopropylcyclopropane at 65 ...