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90 Chapter 4<br />
Table 4.5. Possible defect combinations in the prepared Ru-DEMOFs according to the conducted<br />
XANES, UHV-IR and XPS studies.<br />
DL Sample Assumption I Assumption II<br />
1a defectsA* + B defects A*<br />
5-OH-ip<br />
1c defects A*** + B defects A***<br />
1d defects A* + B defects A* + B<br />
ip<br />
2a<br />
2b<br />
defects B<br />
defects B<br />
3a defects A** + B defects A**<br />
5-NH 2 -ip<br />
3b defects A*** + B defects A***<br />
3c defects A* + B defects A* + B<br />
5-Br-ip 4a defects A + B defects A<br />
* expresses relative defects concentration.<br />
Figure 4.26. Other possible defect fragments in the structure of Ru-DEMOFs. a). Two DLs and two<br />
BTC in a fragment of modified paddlewheel b). Two DLs and two HBTC in a fragment of missing<br />
node. Free carboxylates of HBTC were bound with each other via hydrogen bounds. c). Correlated<br />
modified paddlewheel and missing paddlewheel.<br />
The combined spectroscopic characterization data (XANES, XPS, UHV-FTIR with CO and<br />
CO2 as probes) presented above suggest more or less consistent, but complicated picture<br />
on the abundance of the two kinds of defects. Overall, we assume both types A and B being<br />
simultaneously generated in the Ru-DEMOFs in the case of coordinative weakly binding<br />
ligator-sites at the fragmented linkers. Type A appears to be favored at low incorporation<br />
levels, e.g. 1a (8%) and becomes more abundant up to a certain threshold, e.g. 1c (32%).<br />
Along with a further increase of incorporation level, e.g. 1d (37%), defects of type B
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