Chemistry Reference
In-Depth Information
Fig. 9.34 The Ni 2p
3/2
and 2p
1/2
core level spectra for (a) [Ni
2
(EtCS
2
)
4
I]
1
(8), (b) [Ni
2
(
n
-
PrCS
2
)
4
I]
1
(9), and (c) [Ni
2
(
n
-BuCS
2
)
4
I]
1
(10). The
solid lines
are the deconvoluted and sum
of the components [
38
]
Table 9.5 Binding energy (eV) and width of the peaks from the XPS Data for 7-10 and
corresponding [Ni
2
(RCS
2
)
4
]
Compound
Ni
2+
2p
3/2
Ni
3+
2p
3/2
Ni
2+
2p
1/2
Ni
3+
2p
1/2
853.8 (1.8)
a
[Ni
2
(MeCS
2
)
4
][
82
]
[Ni
2
(EtCS
2
)
4
][
38
]
854.09 (1.53)
871.29 (2.08)
[Ni
2
(
n
-PrCS
2
)
4
][
38
]
854.05 (1.53)
871.18 (2.03)
[Ni
2
(
n
-BuCS
2
)
4
][
38
]
854.22 (1.56)
871.38 (1.98)
854.04 (1.8)
a
855.0 (1.8)
a
[Ni
2
(MeCS
2
)
4
I]
1
(7)[
82
]
[Ni
2
(EtCS
2
)
4
I]
1
(8)[
38
]
854.04 (1.53)
855.21 (1.68)
871.37 (2.18)
872.61 (2.23)
[Ni
2
(
n
-PrCS
2
)
4
I]
1
(9)[
38
]
854.16 (1.55)
855.26 (1.59)
871.47 (2.15)
872.65 (2.21)
[Ni
2
(
n
-BuCS
2
)
4
I]
1
(10)[
38
]
853.86 (1.53)
854.90 (1.53)
871.26 (2.20)
872.50 (2.20)
Full width at half-maximum values (fwhm) for peaks are given in parentheses
These values were corrected against the C 1s peak using a value of 284.6 eV
a
Only Ni 2p
3/2
values were reported [
82
].
repulsion energy
U
on a MM unit originating from a strong electron-electron repulsion
on the nickel atoms. Schematic energy-band structure of [Ni
2
(RCS
2
)
4
I]
1
is also shown
in Fig.
9.35
. HOMO-LUMO gap corresponding to
U
is 1.97 eV. Next HOMO is
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