Now showing items 1-3 of 3
Captodative substitution: a strategy for enhancing the conductivity of molecular electronic devices
(American Chemical Society, 2018)
We explore a new strategy to tune the conductivity of molecular electronic devices: captodative substitution. We demonstrate that a careful design of such substitution schemes on a benzene parental structure can enhance ...
Diradical Character as a Guiding Principle for the Insightful Design of Molecular Nanowires with an Increasing Conductance with Length
(American Chemical Society, 2018-10-22)
In recent years, a considerable interest has grown in the design of molecular nanowires with an increasing conductance with length. The development of such nanowires is highly desirable since they could play an important ...
Do Diradicals Behave Like Radicals?
(American Chemical Society, 2019-10-08)
This review sets out to understand the reactivity of diradicals, and how that may differ from monoradicals. We also offer a thorough survey and critical evaluation of various measures of diradical character in the literature. ...