“…* denotes water vibrations. 39,40 Vibrations in which the hydroxamic and oximic N-O stretches are involved are observed at 1041, 1034, 1011 and 976 cm À1 (B3LYP: 1030, 1022, 1016, 962 cm À1 ; MP2: 1019, 1013, 993 and 954 cm À1 ). Lower-frequency bands include mainly deformation vibrations, however, they show very good agreement between experimental and computed data.…”