Quantum chemical approach towards the secondary amino derivatives of C (3) substituted 1, 4-naphthoquinone: Combined molecular and dft calculations
Here we present molecular geometry of 2-chloro-3-(N, N-dimethyl amino)-1, 4-
naphthoquinone; DCDA, 2-chloro-3-(N, N-diethyl amino)-1, 4-naphthoquinone; DCDA-2, 2-
chloro-3-(N, N-dipropyl amino)-1, 4-naphthoquinone; DCDA-3; 2-bromo-3-(N, N-dimethyl
amino)-1, 4-naphthoquinone; DBDA, 2-bromo-3-(N, N-diethyl amino)-1, 4-naphthoquinone;
DBDA-2, and 2-bromo-3-(N, N-dipropyl amino)-1, 4-naphthoquinone; DBDA-3 obtained by
employing density functional theory using basic functional CAM-B3LYP. Single crystal X-ray …
naphthoquinone; DCDA, 2-chloro-3-(N, N-diethyl amino)-1, 4-naphthoquinone; DCDA-2, 2-
chloro-3-(N, N-dipropyl amino)-1, 4-naphthoquinone; DCDA-3; 2-bromo-3-(N, N-dimethyl
amino)-1, 4-naphthoquinone; DBDA, 2-bromo-3-(N, N-diethyl amino)-1, 4-naphthoquinone;
DBDA-2, and 2-bromo-3-(N, N-dipropyl amino)-1, 4-naphthoquinone; DBDA-3 obtained by
employing density functional theory using basic functional CAM-B3LYP. Single crystal X-ray …
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