Abstract
The cis–trans isomerization of azobenzene has many uses in materials technologies. Among forecasted applications are molecular switches for nanoscale devices. Chemisorbed and physisorbed azobenzenes can switch between their two isomers, with different charge-conduction properties. Here, we examine the switching behavior of N-(2-mercaptoethyl)-4-phenylazobenzamide, chemisorbed on Au (1 1 1) in an upright conformation. We considered the effects of electric fields and charging processes on the isomerization process. Cationic and anionic isomerization mechanisms presented lower barriers than neutral ground state isomerization. This effect was moderated on metallic substrates, due to charge delocalization into the surface. The relationships between observed barriers and frontier orbitals are also discussed.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
