Repositorio
Institucional

Dietrich, Fabian

Becherer, Markus

Bellaire, Daniel

Martinez-Rodriguez, Paulina

Gerhards, Markus

Investigating cooperative effects in small cobalt and cobalt-nickel alloy clusters with attached ethanol

ROYAL SOC CHEMISTRY

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

en

Small cationic cobalt, and cobalt-nickel alloy clusters with ethanol attached are generated in a pulsed molecular beam experiment using a laser ablation source. While the metal center is successively varied with respect to size and composition, a full-size study of these transition metal clusters is possible. The clusters are investigated via IR photodissociation spectroscopy in the region of OH- and CH-stretching vibrations. The results are compared with theoretical data obtained from DFT calculations. Both frequency shifts and structural changes according to cluster size and composition are identified and discussed in detail, also with respect to cooperative effects. Trimeric metal clusters with an uneven number of nickel atoms show evidence for C-O cleavage of the ethanol molecule. This result is elucidated by further calculations concerning the reactivity, charge and energetic distributions. Cooperativity and bond cleavage are studied in small cobalt and nickel clusters with ethanol using IR(M)PD spectroscopy and DFT calculations.

2023

artículo original

10.1039/d3cp02448b

PDF

cobalt–nickel alloy

Small cationic cobalt

Química

Física

aleación de cobalto y níquel

Cobalto catiónico pequeño

31077.0

31089

artículo original

versión publicada

metadata

metadata

WOS:001099241900001

1463-9076

verde / hibrido

Química

Física

ANID-FONDECYT 11230223

ANID-FONDECYT 3200596

NLHPC ECM-02

ANID FONDECYT 11230223

ANID FONDECYT 3200596