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Journal Article

Photoelectron spectra of disubstituted 1,2,4,5-tetrazines

MPS-Authors
/persons/resource/persons198522

Fischer,  Hans
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

/persons/resource/persons94523

Neugebauer,  Franz A.
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

External Resource

https://pubs.acs.org/toc/joceah/53/24
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https://pubs.acs.org/doi/pdf/10.1021/jo00259a027
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Citation

Gleiter, R., Schehlmann, V., Spanget-Larsen, J., Fischer, H., & Neugebauer, F. A. (submitted). Photoelectron spectra of disubstituted 1,2,4,5-tetrazines.


Cite as: https://hdl.handle.net/21.11116/0000-000A-5590-3
Abstract
The PE spectra of 21 s-tetrazines, disubstituted either with electron-donating groups or with electron-withdrawing groups, have been recorded. Their interpretation is based on the comparison of the spectra using band shapes as a guide and on the results of HAM/3 calculations. The very broad band between 10 and 11 eV is ascribed to the failure of the one-electron picture. In addition electrochemical reduction potentials have been compared
with calculated HAM/3 electron affinities. Our investigations reveal that the HOMO of the alkylamino derivatives (except 9) has ir character, in contrast to the s-tetrazines with alkyl or electron-withdrawing groups.