Early events in the photochemistry of 5-diazo Meldrum's acid: formation of a product manifold in C–N bound and pre-dissociated intersection seam regions

Author:

Li Huijing12345,Migani Annapaola678910,Blancafort Lluís1112131410,Li Quansong12345,Li Zesheng12345

Affiliation:

1. Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials

2. Key Laboratory of Cluster Science of Ministry of Education

3. School of Chemistry and Chemical Engineering

4. Beijing Institute of Technology

5. 100081 Beijing

6. Catalan Institute of Nanoscience and Nanotechnology (ICN2)

7. CSIC and The Barcelona Institute of Science and Technology

8. Campus UAB

9. 08193 Barcelona

10. Spain

11. Institut de Química Computacional i Catàlisi and Departament de Química

12. Universitat de Girona

13. Facultat de Ciències

14. 17003 Girona

Abstract

Photolysis of 5-diazo Meldrum's acid yields three different primary products in a sub-ps scale. High-level computations show that this is due to the presence of an extended seam of intersection associated to different reaction paths.

Funder

Ministerio de Economía y Competitividad

Beijing Institute of Technology

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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