Photoelectron Velocity Map Imaging Spectroscopy of Lead Tetracarbonyl-Iron Anion PbFe(CO)4(.).
J Phys Chem A
; 120(20): 3533-8, 2016 May 26.
Article
em En
| MEDLINE
| ID: mdl-27152488
ABSTRACT
Joint research of photoelectron velocity map imaging spectroscopy and density functional theory has been performed to probe the geometrical structures and electronic properties for heterodinuclear iron-lead carbonyl cluster PbFe(CO)4(-), which serves as a monomer of the metal-metal bonded oligomer. The photoelectron detachment of PbFe(CO)4(-) is recorded at two different photon energies with rich spectral features. The ground-state transition obtained at 532 nm reveals a broad vibrationally resolved spectral band, which corresponds to the lead-iron stretching, while the 355 nm spectrum displays many more transitions on the higher-energy side, which correspond to the electronic excited states of PbFe(CO)4. Theoretical calculations at the B3LYP level are performed to explore the ground states of both the anionic and neutral PbFe(CO)4 and to support spectral identification of the fine resolved photoelectron spectra. Moreover, the unique chemical bonding between lead and iron in PbFe(CO)4 is discussed with the aid of natural bond orbital analyses.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Phys Chem A
Assunto da revista:
QUIMICA
Ano de publicação:
2016
Tipo de documento:
Article