Understanding the origin of stereoselectivity in the photochemical denitrogenation of 2,3-diazabicyclo[2.2.1]heptene and its derivatives with non-adiabatic molecular dynamics

Leticia A. Gomes and Steven A. Lopez
Beilstein J. Org. Chem. 2025, 21, 2007–2020. https://doi.org/10.3762/bjoc.21.156

Supporting Information

Supporting Information File 1: Details for the active space for derivatives, time constants, the outcome of extended trajectories ending at the diradical intermediate, and the energy of minimum energy conical intersections (MECIs).
Format: PDF Size: 925.9 KB Download

Cite the Following Article

Understanding the origin of stereoselectivity in the photochemical denitrogenation of 2,3-diazabicyclo[2.2.1]heptene and its derivatives with non-adiabatic molecular dynamics
Leticia A. Gomes and Steven A. Lopez
Beilstein J. Org. Chem. 2025, 21, 2007–2020. https://doi.org/10.3762/bjoc.21.156

How to Cite

Gomes, L. A.; Lopez, S. A. Beilstein J. Org. Chem. 2025, 21, 2007–2020. doi:10.3762/bjoc.21.156

Download Citation

Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window below.
Citation data in RIS format can be imported by all major citation management software, including EndNote, ProCite, RefWorks, and Zotero.

Presentation Graphic

Picture with graphical abstract, title and authors for social media postings and presentations.
Format: PNG Size: 9.3 MB Download
Other Beilstein-Institut Open Science Activities