Table 5.
Selected Spectroscopic Data for [CuOOH]+ and [CuOOR]+ Complexes
| copper core
|
ligand
|
UV–vis
|
Raman (exp, cm−1)a
|
Raman (calc, cm−1)
|
ref
|
|||
|---|---|---|---|---|---|---|---|---|
| λmax (nm) (ε, M−1 cm−1) | ν(O–O) | ν(Cu–O) | ν(C–O)/ν(C–C) | ν(O–C–C)/ν(C–C–C) | ν(O–O) | |||
| [CuOOH]+ | L83 | 325 (6414) | 822 (41), 836 (45) | – | – | – | – | 203 |
| L38e | 350 (3400) | 834 (42) | – | – | – | – | 204 | |
| L41e | 375 (700) | 860 (45) | – | – | – | – | 205 | |
| L70b | 374 (2589) | 880 (11) | – | – | – | 896 | 193 | |
| L40b | ~380 | 851 (46), 835 (46) | – | – | – | – | 206 | |
| L43a | 381 (1000) | 853 (46) | – | – | – | – | 207 | |
| L43b | 372 (1000) | 848 (45) | – | – | – | – | 207 | |
| L39a | 604 (1180) | 843 (26) | 624 (17) | – | – | – | 208 | |
| L66 | 357 (4300) | 881 (49) | – | – | – | – | 209 | |
| L45 | 332 (4240) | 851 (56) | – | – | – | – | 196 | |
| L33c | 375 (1650) | 831 (43) | – | – | – | – | 174 | |
| L35a | 345 (5000) | 900 (50) | 580 (25) | – | – | 953 | 179 | |
| L42a | 375 (1250) | 846 (48) | 509 (25) | – | – | 854 | 190 | |
| ε-His-Gly-His | 366 (2600) | – | – | – | – | – | 202 | |
| L85 | 380 (2000) | – | – | – | – | – | 187 | |
| [CuOOR]+b | L39c | 572 (3815) | 844 (26) | 652 (19) | 802 (26)/755 (6) | 555 (10)/540 (4) | – | 208 |
| L39a | 603 (5410) | 843 (26) | 645 (16) | 809 (28)/756 (4) | 551 (8)/536 (7) | – | 208 | |
| L39ac | 610 (5000) | 884 (24) | 640 (27) | 834 (37)/754 (15) | 471 (6) | – | 208 | |
| L18bd | 420 (1350) | 855 (30) | 545 (20) | 823 (20)/792 | (7) – | 901 | 180 | |
| L18d | 465 (1100) | 885 (30) | 608 (11) | 841 (33) | 529 (5)/485 (9) | – | 185 | |
| L42a | 440 (280) | 887 (82) | – | 839 (34) | – | 845 | 190 | |
| L69 | 465 | 887 (89) | 610 (7) | 827 (33) | – | – | 192 | |
| L42c | 396 (5400) | 831 (43) | 604 (15) | – | 569 (11)/541 (10) | 833 | 194 | |
| L41ae | 332 (950) | – | – | 1740 (C=O) | – | – | 210 | |
| L39ce | – | – | – | 1640 (C=O) | – | – | 210 | |
a
D18O indicated in parentheses.
b
R = Cm, except where indicated.
c
R = tBu.
d
2-Hydroxy-2-peroxypropane complex 13.
e
R = acyl.