Table 5.
13C and 1H MAS NMR Shifts Observed for Cu3(BTC)2 and Model Compounds
| Compound | Group | 13C(Temp) | 1H | Reference |
|---|---|---|---|---|
| Cu(alanine)2(H2O) | CO2− | −183 (331 K) | – | |
| CH | −269 (331 K) | 8.4 (298 K) | 26 (13C) | |
| CH3 | 173 (331 K) | 28.1 (298 K) | 25 (1H) | |
| NH2 | – | −146 (298 K) | ||
| Cu(l-tartrate)(H2O)3 | CO2− | 483a(298 K) | – | |
| CH’ | 171b(298 K) | 6 (298 K)b | This Work | |
| CH | −35b(298 K) | 4 (298 K) b | ||
| CO2− | −427a(298 K) | – | ||
| Cu(CO3)Cu(OH)2 | CO32− | 501 (298 K) | – | This Work |
| OH− | – | −148 (298 K) | ||
| Cu(formate)2(C5H5N) | HCO2− | 163 (92 K) | – | 28 |
| Cu(acetate)2(H2O) | CO2− | No signals | – | |
| CH3 | observed down | 15 (298 K) | This Work | |
| to 173 K | ||||
| Cu3(BTC)2·xDMF·yH2O | CO2− | −78 (298 K) | – | |
| =CH− | 228 (298 K) | 8.1 (298 K) | ||
| =C< | 240,218 (298 K) | – | This Work | |
| H2O | – | ~12.7 (298 K)c | ||
| CH3 (DMF) | 38 (298 K) | 9.7,7.1 (298 K) | ||
| HC=O (DMF) | 165 (298 K) | ca. 12.7 (298 K)d | ||
a
CO2− assignments may be reversed.
b
CH assignments may be reversed.
c
Peak shifts upfield with increasing water adsorption.
d
Underlies H2O peak.