NMR and DFT Characterization of Pd Complexes Observed during Pd-Catalyzed Arylation of Hydrodisilanes
The Pd(P( t -Bu) 3 ) 2 -catalyzed arylation of hydrosilanes containing a Si–Si σ bond proceeds under conditions where Si–Si bond cleavage is suppressed, even though transition metals are known to cleave Si–Si bonds; several Pd species were observed during the course of the reaction. The species were identified as (( t -Bu) 3 P)Pd(μ-I)(μ-η 2 -HSiMeR)Pd(P( t -Bu) 3 ) (R = Me ( 7 ) or Ph ( 8 )) based on comprehensive NMR studies and DFT calculations. These complexes are considered to arise from side processes occurring during the catalytic cycle. The structural characterization of these Pd species provides insight into the behavior of hydrodisilanes under Pd catalysis.
Authors
- Kouki Oka (ORCID: https://orcid.org/0000-0001-6806-2767)
- Mineyuki Hattori (ORCID: https://orcid.org/0000-0002-0469-7146)
- Hitoshi Kasai (ORCID: https://orcid.org/0000-0001-9399-0506)
- Kenichiro Omoto (ORCID: https://orcid.org/0000-0002-4134-3005)
- Daisuke Yokogawa (ORCID: https://orcid.org/0000-0002-7574-0965)
- Kazuhiko Yamasaki (ORCID: https://orcid.org/0000-0003-0320-9697)
- Yoshinori Yamanoi (ORCID: https://orcid.org/0000-0002-6155-2357)
- Showa Kitajima
- Kei-ichi Sato
- Masaki Nishio
Institutions
- Tohoku University (JP)
- Hokkaido University (JP)
- Nagasaki University (JP)
- Institute for Multidisciplinary Research
- National Institute of Advanced Industrial Science and Technology (JP)
- The University of Tokyo (JP)
Publication Details
- Journal
- Organometallics
- Published
- 2026-07-16
- DOI
- https://doi.org/10.1021/acs.organomet.6c00006
- Primary Topic
- Organoboron and organosilicon chemistry
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Fuji Seal Foundation
- Ministry of Education, Culture, Sports, Science and Technology