DISTRIBUTION OF ELECTRON-DENSITY IN THE MOLECULE AND THE MECHANISM OFPHYTOTOXIC ACTION OF THE HERBICIDE VERDINAL

The CDDO/2 method and expanded Huckel method were used to perform quan tum-chemical calculations of the distribution of complete and pi-elect ron charges throughout atoms of the molecule of the herbicide verdinal . It is established that a clear regularity in the form of +++- exists in alternation of the signs of pi-electron charges on atoms of C-N-C= O carbamate groups of the molecule. It is concluded that the discovery of such a regularity suggests binding of the verdinal molecule with t he D1 protein of chloroplast thylakoid membranes.