Table 1. Rate Constantsa 102 (h-1)
k1k2
CephaloridineHPLC1916
1H-NMR2210
CeftazidimeHPLC1912
1H-NMR158
a) The rate constants were determined in carbonate buffer solution (pH 10.5, µ= 0.1, 37°C) by HPLC and in deuteriated carbonate buffer solution (pD 10.5, µ= 0.5, 37°C) by 1H-NMR.


Table 2. Calculated (AM1) heats of formation (in kcal/mol) for cephalosporin isomers and intermediate ions. Values in brackets are the heats of formation plus delta G solvation (in kcal/mol) obtained with the AMSOL solvation method.


Delta3-isomer (1)Carbanion (2)Delta2-isomers (3a / 3b)
Cefotaxime-222.5-172.6-227.2 (-298.9)/-224.7 (-293.9)
Cephaloridine-14.6-31.7-11.2 (-55.6)/ -11.7 (-54.8)
Cephalexine-133.4-74.0-137.3 (-213.6)/ -140.5 (-211.9)