Atomic charges on each atom in RCOOH and RCOO
- were obtaind by the calculation of 6-31 G ab initio molecular orbital method. The atomic charges of COO group, Q (COO), are in the order HCOOH>CH
2=CHCOOH> McCOOH and the order is same of that of acid strength in the pK
a values. The COO group attracts electrons from the H
1 atom in the COOH group and a strong acid has the large effect. The atomic charge of H
1 atom, Q (H
1), is in the order HCOOH>CH
2=CHCOOH_??_MeCOOH and Q (H
1) indicates approximately the acid strength. The atomic charges on the C
2 atoms in each aliphatic carboxylic acid have negative values and it suggests that those atoms are able to adsorb on the Al plane.
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