QR Kodea

[CoII(BPyPy2COH)(OH2)2]2+: A Catalytic Pourbaix Diagram and AIMD Simulations on Four Key Intermediates

Proton reduction by [CoII(BPyPy2COH)(OH2)2]2+ (BPyPy2COH = [2,2'-bipyridin]-6-yl-di[pyridin-2-yl]methanol) proceeds through two distinct, pH-dependent pathways involving proton-coupled electron transfer (PCET), reduction and protonation steps. In this account we give an overview of the key...

Deskribapen osoa

Gorde:
Egile Nagusiak: Roger Alberto, Marcella Iannuzzi, Yeliz Gurdal, Benjamin Probst
Formatua: Artigo
Hizkuntza:Alemão
Argitaratua: Swiss Chemical Society 2019-11-01
Saila:CHIMIA
Gaiak:
Ab initio molecular dynamics
Cobalt polypyridyl
Density functional theory
Pourbaix diagram
Proton coupled electron transfer
Sarrera elektronikoa:https://www.chimia.ch/chimia/article/view/1334
Etiketak: Etiketa erantsi
Etiketarik gabe, Izan zaitez lehena erregistro honi etiketa jartzen!

Antzeko izenburuak