Delineating the roaming and non-roaming pathways for the NO release in <i>o</i> -nitrofuran and <i>o</i> -nitrothiophene
The delineation of NO<sub>2</sub> roaming and oxaziridine pathways for NO release is experimentally demonstrated using <i>o</i>-nitrofuran and <i>o</i>-nitrothiophene in lieu of nitrobenzene. The excitation energy dependence of the NO translational energy allows demarcation of the NO<sub>2</sub> roaming and oxaziridine pathways above and below 4.66 eV, respectively. Quantum chemical calculations indicate that the roaming pathway can be accessed following T<sub>1</sub>/S<sub>0</sub> crossing at 4.89 eV, which is energetically above the oxaziridine pathway at 4.50 eV.
Authors
- Supriyo Santra (ORCID: https://orcid.org/0000-0003-4884-2250)
- Debashree Ghosh (ORCID: https://orcid.org/0000-0003-0726-7878)
- Shaivi Kesari
- Monali Kawade (ORCID: https://orcid.org/0000-0001-7343-5951)
- Sumitra Singh (ORCID: https://orcid.org/0000-0001-5106-4520)
- G. Naresh Patwari (ORCID: https://orcid.org/0000-0003-0811-7249)
Institutions
- Indian Institute of Technology Bombay (IN)
- Indian Association for the Cultivation of Science (IN)
Publication Details
- Journal
- Chemical Communications
- Published
- 2025-11-24
- DOI
- https://doi.org/10.1039/d4cc06477a
- Citations
- 2
- Primary Topic
- Chemical Reactions and Mechanisms
- Type
- article
- Field-Weighted Citation Impact
- 3.51