Browsing by Subject "Halogen compounds"
Now showing items 1-4 of 4
-
Article
Effect of halogen substitution on o-Phenylenebiscarbene
(2005)The effect of halogen (F, Cl and Br) perturbation on the geometries and relative energies of five electronic states (one quintet, two triplets and two singlets) of o-phenylenebiscarbene (1-H) is examined computationally ...
-
Article
Effect of halogen substitution on p-phenylenebiscarbene
(2005)The effect of halogen (F, Cl, and Br) perturbation on the geometries and relative energies of five electronic states (one quintet, two triplets, and two singlets) of p-phenylenebiscarbene (1-H) was examined computationally ...
-
Article
o-Phenylene halocarbenonitrenes and o-phenylene chlorocarbenocarbene: A combined experimental and computational approach
(2005)Computations find that o-phenylene(halo)carbenonitrenes 2-XN, X = F, Cl, Br, have quinoidal singlet biradical ground states such as the parent o-phenylenecarbenonitrene (2-HN). Compared to the parent 2-HN, halogen substitution ...
-
Article
p-phenylenecarbenonitrene and its halogen derivatives: How does resonance interaction between a nitrene and a carbene center affect the overall electronic configuration?
(2001)A series of para-conjugatively coupled phenylenecarbenonitrenes {(4-nitrenophenyl)methylene (3a), (4-nitrenophenyl)fluoromethylene (3b), (4-nitrenophenyl)chloromethylene (3c), and (4-nitrenophenyl)bromomethylene (3d)} were ...