Table 3.
Complex | 2hJ(O–O) | 1hJ(H–O) | 1J(O–H) |
---|---|---|---|
Isolated monomer C3H4O2 | 11.5 | 7.9 | −77.7 |
Isolated ts | 24.7 | −19.7 | −19.7 |
C3H4O2:LiH at C=O | 10.2 | 7.9 | −79.2 |
at O–H | 13.7 | 7.4 | −81.3 |
ts | 24.0 | −14.5 | −31.2 |
C3H4O2:LiF at C=O | 10.5 | 8.1 | −78.6 |
at O–H | 13.5 | 7.4 | −82.2 |
ts | 24.1 | −15.5 | −30.0 |
C3H4O2:BeH2 at C=O | 10.0 | 7.8 | −81.4 |
at O–H | 14.3 | 6.4 | −89.7 |
ts | 23.8 | −12.8 | −41.4 |
C3H4O2:BeF2 at C=O | 9.6 | 7.7 | −82.1 |
at O–H | 15.4 | 5.8 | −88.7 |
ts | 23.6 | −10.3 | −47.1 |