Redox-induced umpolung of transition metal carbenes† †Electronic supplementary information (ESI) available: Characterization data for all new compounds, computational results, single crystal X-ray structure analysis of complexes 4–6, 8–12. CCDC 1404570–1404575, 1416513–1416514. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc02859k Click here for additional data file. Click here for additional data file. Click here for additional data file.
نویسندگان
چکیده
3 DFT Results S7 Figure S2. Computed molecules . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . S7 3.1 [{PC•(sp2)P}tBuPdI] (4) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . S7 Table S1. Optimized coordinates for [{PC•(sp2)P}tBuPdI] (4) . . . . . . . . . . . . . . . . . . . . . . . S7 Figure S3. Overlaid structures for [{PC•(sp2)P}tBuPdI] (4) (red: X-ray, blue: optimized) . . . . . . . . S9 Table S2. Selected distances (Å) and angles (°) for the optimized geometry and the crystal structure of [{PC•(sp2)P}tBuPdI] (4) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . S10 Figure S4. Optimized geometry for [{PC•(sp2)P}tBuPdI] (4) . . . . . . . . . . . . . . . . . . . . . . . S10 3.2 [{PC(sp)P}PdI][BAr4] (5) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . S11 Table S3. Optimized coordinates for the complex cation of [{PC(sp)P}PdI][BAr4] (5) . . . . . . . . S11 Figure S5. Overlaid structures for the complex cation of [{PC(sp)P}PdI][BAr4] (5) (red: X-ray, blue: optimized) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . S13 Table S4. Selected distances (Å) and angles (°) for the optimized geometry and the crystal structure of the complex cation of [{PC(sp)P}PdI][BAr4] (5) . . . . . . . . . . . . . . . . . . . . . . . . . . . S14 Figure S6. Optimized geometry for the complex cation of [{PC(sp)P}PdI][BAr4] (5) . . . . . . . . S14 3.3 [{PC(sp2)P}MePdI]+ (5’) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . S15 Table S5. Optimized coordinates for [{PC(sp2)P}MePdI]+ (5’) . . . . . . . . . . . . . . . . . . . . . . S15 Figure S7. Optimized geometry for [{PC(sp2)P}MePdI]+ (5’) . . . . . . . . . . . . . . . . . . . . . . . S16
منابع مشابه
Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds† †Electronic supplementary information (ESI) available: X-ray crystallographic data, optical properties, DFT calculations, and other additional information. CCDC [987280 and 987281]. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc02676d Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file.
متن کامل
Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates† †Electronic supplementary information (ESI) available: Experimental procedures, compound characterization data, and X-ray crystallographic data of compounds 4b-Et and 4b-Me. CCDC 1014843 and 1014844. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01027f Click here for additional data file. Click here for additional data file.
متن کامل
An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo † †Electronic supplementary information (ESI) available: Experimental materials and methods, characterization details of all compounds, X-ray crystal structures. CCDC 1499561 and 1499562. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc03862j Click here for additional data file. Click here for additional data file.
متن کامل
Triple aryne–tetrazine reaction enabling rapid access to a new class of polyaromatic heterocycles† †Electronic supplementary information (ESI) available: Experimental protocols, characterization data, X-ray crystallographic data (CIF) and NMR spectra of all new compounds. CCDC 1400529. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01726b Click here for additional data file. Click here for additional data file.
متن کامل
Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers† †Electronic supplementary information (ESI) available: Experimental protocols for synthesis; characterization of new compounds; methods for X-ray crystallography; solubility studies. CCDC 1521878, 1525865, 1525770 and 1523119. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00430c Click here for additional data file. Click here for additional data file.
متن کامل