Title : Effective CO2 and CO Separation Using [M2(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.

Pub. Date : 2019 Feb 20

PMID : 30667210






1 Functional Relationships(s)
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1 Density functional theory calculations elucidate the discrepancy in CO affinity: Co(II) and Ni(II) form strong pi-back-donating bonds with CO via electron transfer from the d orbitals of the transition metals to the antibonding molecular orbitals of CO, whereas Mg(II) does not participate in electron transfer or orbital overlap with CO. mg(ii) mitochondrially encoded cytochrome c oxidase II Homo sapiens