A Quantum Chemical Study of "Light-Dependent Herbicides"
Open Access
- 1 April 1993
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung C
- Vol. 48 (3-4) , 345-349
- https://doi.org/10.1515/znc-1993-3-437
Abstract
Common structural features were investigated for “light-dependent herbicides” (LDH s, also called peroxidizing or photobleaching herbicides). Quantum chemical calculations of 143 herbicidal compounds revealed that LUMO levels of LDH s were similar and strikingly low. Using the LUMO position as an anchor, presumably known structure-activity relationships could be explained. Overall molecular similarity between oxyfluorfen and chlorophthalim was examined by molecular field fitting. The result supported LUMO position correspondence.Keywords
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