Additions and corrections
Shedding light on the bonding, photophysical and magnetotropic properties of triangular Pt3 complexes and their “open-face” TlPt3 half-sandwiches
Athanassios C. Tsipis* and George N. Gkekas
Dalton Trans., 2013, Advance Article (DOI: 10.1039/C2DT32507A). Amendment published 14th January 2013.
In the above article, the data in Table 2 has been incorrectly duplicated from Table 1. Table 2 should be as follows:
Table 2 Energy decomposition analysis (EDA) parameters of the interaction of Tl(I) with the Pt3 metallic ring core calculated at the B3LYP-D/TZ2P level
|
Cluster |
D0 a |
ΔEintb |
ΔEPauli |
ΔEelstat |
ΔEorb |
ΔEdisp |
|
1_Tl |
-21.0 |
-25.5 |
42.8 |
-20.8 |
-41.1 |
-6.4 |
|
2_Tl |
-45.0 |
-50.3 |
67.8 |
-54.6 |
-57.1 |
-6.3 |
|
3_Tl |
-39.4 |
-55.0 |
57.4 |
-37.1 |
-60.1 |
-15.3 |
|
3M_Tl |
-57.1 |
-65.4 |
87.5 |
-71.8 |
-71.5 |
-9.6 |
|
4_Tl |
-63.1 |
71.4 |
92.4 |
-78.0 |
-75.7 |
-10.0 |
|
4M_Tl |
-53.9 |
-60.8 |
77.6 |
-66.4 |
-64.6 |
-7.3 |
|
5_Tl |
-59.4 |
-65.9 |
77.2 |
-71.7 |
-64.6 |
-6.9 |
|
6_Tl |
-45.8 |
-53.8 |
54.1 |
-45.2 |
-51.3 |
-11.3 |
|
7_Tl |
-41.4 |
-53.8 |
25.8 |
-35.6 |
-32.1 |
-11.9 |
|
8_Tl |
-43.7 |
-54.0 |
35.7 |
-41.8 |
-36.9 |
-11.0 |
|
9_Tl |
-53.1 |
-40.2 |
292.4 |
-107.7 |
-218.7 |
-6.2 |
|
10_Tl |
-66.7 |
-39.1 |
319.7 |
-120.8 |
-231.5 |
-6.5 |
a Bond dissociation energies in kcal mol-1. b All energy terms in kcal mol-1.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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