CO and CO2 adsorption mechanism in Fe(pz)[Pt(CN)4] probed by neutron scattering and density-functional theory calculations

Autor:	Ángel Fernández-Blanco, Lucía Piñeiro-López, Mónica Jiménez-Ruiz, Stephane Rols, José Antonio Real, Jose Sanchez Costa, Roberta Poloni, J. Alberto Rodríguez-Velamazán
Rok vydání:	2023
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 25:11338-11349
ISSN:	1463-9084 1463-9076
DOI:	10.1039/d3cp00670k
Popis:	We study the binding mechanism of CO and CO2 in the porous spin-crossover compound Fe(pz)[Pt(CN)4] by combining neutron diffraction (ND), inelastic neutron scattering (INS) and density–functional theory (DFT) calculations.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8affd04ad195e513a9a4ad0d724bb3f0 https://doi.org/10.1039/d3cp00670k Zobrazit plný text záznamu