We. Klotzbucher et al., Formation of mixed d- and f-block metal clusters in inert matrices: comparison of the observed and theoretical optical spectra of AgHo, SPECT ACT A, 57(5), 2001, pp. 1093-1101
Citations number
29
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
The UV visible spectra obtained after simultaneous cocondensation of silver
and holmium atoms with argon matrices at 9 K have been studied in the 200-
800 nm region. While no new feature can be observed upon deposition, select
ive irradiation into both silver or holmium atomic absorptions results in g
rowth of a new band at 430 nm, associated with formation of a mixed silver-
holmium species, tentatively assigned as AgHo. To support the assignment of
the observed bands ab initio quantum chemical calculations were carried ou
t for the dinuclear and trinuclear silver and holmium species, using pseudo
potential approaches. Results for the electronic excitation energies and co
rresponding transition dipole moments for the diatomic molecules Ag-2, Ho-2
, AgHo provide evidence that the 430 nm band should be attributed to the mi
xed duster AgHo (theoretical band position at 436 nm), while the doublers a
t 498/504 and 558/563 nm belong to the homonuclear species Ho-2 (theoretica
l values are at 482 and 562 nm). First conclusions are drawn with respect t
o the formation of the metal trimers Ho-3, Ag2Ho, AgHo2. (C) 2001 Elsevier
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