ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 24, Number 1
JKCSEZ 24(1)
February 20, 1980 

CNDO/2, EHT molecular orbital methods are used to investigate the electronic structure and reactivity of glycinato, glycine ester ligands. The results show that bidentate glycinato has a more stable structure, Gly-I with a 105.9°dihedral angle between ΔO4C3C2 and ΔC3C2N1 than Gly-Ⅱ. The electron inductive effects in the alkyl group substituted glycine ester ligands can also be derived from the calculation. According to the electron density, qN of ligands on the basis of CNDO/2 MO calculations, it is concluded that the stabilities are in the order of glycinato > Gly-Et-ester > Gly-i-Pr-ester > Gly-Me-ester.