SCHEDULED MAINTENANCE
Molecular orbital studies of luminescent silver(I
)
chalcogenido clusters
[Ag4(µ-dppm)4(µ4-E)]2+
(dppm = Ph2PCH2PPh2)
Abstract
The electronic structures of the µ
4
-chalcogenido
silver(I) complexes
[Ag
4
(µ-dppm)
4
(µ
4
-E)]
[O
3
SCF
3
]
2
(E = S 1,
Se 2 or Te 3;
dppm = Ph
2
PCH
2
PPh
2
) have
been calculated by use of the Fenske–Hall molecular orbital method.
The results indicate that complexes 1–3 show
similar electronic structures, with the highest occupied molecular orbital
being mainly of Ag–E character while the lowest unoccupied molecular
orbital is of metal–metal interaction character. A correlation
between the results of these calculations with the spectroscopic properties
of this class of complexes is described.
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)
chalcogenido clusters
[Ag4(µ-dppm)4(µ4-E)]2+
(dppm = Ph2PCH2PPh2)