A Comparative Study on the Thermodynamics of Halogen Bonding of Group 10 Pincer Fluoride Complexes
| Autor: | Hemlata Agarwala, Torsten Beweries, Markus Joksch, Dirk Michalik, Anke Spannenberg, M. Ferro |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
chemistry.chemical_element
Thermodynamics 010402 general chemistry 01 natural sciences Catalysis Metal chemistry.chemical_compound nickel platinum Isostructural Pincer Complexes | Hot Paper Organisk kemi Halogen bond Full Paper 010405 organic chemistry Organic Chemistry General Chemistry Full Papers palladium 0104 chemical sciences Pincer movement Nickel chemistry halogen bonding visual_art visual_art.visual_art_medium pincer complexes Platinum Fluoride Palladium |
| Zdroj: | Chemistry (Weinheim an Der Bergstrasse, Germany) |
| Popis: | The thermodynamics of halogen bonding of a series of isostructural Group 10 metal pincer fluoride complexes of the type [(3,5‐R2‐tBuPOCOPtBu)MF] (3,5‐R2‐tBuPOCOPtBu=κ 3‐C6HR2‐2,6‐(OPtBu2)2 with R=H, tBu, COOMe; M=Ni, Pd, Pt) and iodopentafluorobenzene was investigated. Based on NMR experiments at different temperatures, all complexes 1‐tBu (R=tBu, M=Ni), 2‐H (R=H, M=Pd), 2‐tBu (R=tBu, M=Pd), 2‐COOMe (R=COOMe, M=Pd) and 3‐tBu (R=tBu, M=Pt) form strong halogen bonds with Pd complexes showing significantly stronger binding to iodopentafluorobenzene. Structural and computational analysis of a model adduct of complex 2‐tBu with 1,4‐diiodotetrafluorobenzene as well as of structures of iodopentafluorobenzene in toluene solution shows that formation of a type I contact occurs. Pincer complexes studied: Group 10 POCOP (κ 3‐C6HR2‐2,6‐(OPtBu2)2; R=H, tBu) fluoride complexes show pronounced halogen bonding with iodopentafluorobenzene in toluene. Along an isostructural series of complexes, Pd fluorides show the strongest interactions. |
| Databáze: | OpenAIRE |
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