Azide–alkyne cycloaddition catalyzed by Cu(<scp>i</scp>), Ag(<scp>i</scp>), and Au(<scp>i</scp>) complexes and the influence of the deuterium isotope: DFT-based computational insights
This article presents a computational study of the azide–alkyne cycloaddition reaction with various transition metal catalysts (Cu( i ), Ag( i ), and Au( i )) exploring the impact of deuterium isotope substitution on reaction kinetics and thermodynamics.
Authors
- Pavel V. Nesterov (ORCID: https://orcid.org/0000-0003-4156-7655)
- Екатерина Владимировна Скорб (ORCID: https://orcid.org/0000-0003-0888-1693)
- Alexander S. Novikov
- Saadiallakh Normatov (ORCID: https://orcid.org/0009-0004-4834-7713)
- Maxim A. Demekhin
Institutions
- ITMO University (RU)
Publication Details
- Journal
- New Journal of Chemistry
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5nj01372k
- Citations
- 1
- Primary Topic
- Innovation Policy and R&D
- Type
- article
- Field-Weighted Citation Impact
- 3.13