Electron- poor hemilabile dicationic palladium NHC complexes - Synthesis, structure and catalytic activity

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F18%3A10389559" target="_blank" >RIV/00216208:11310/18:10389559 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1039/c8dt03373k" target="_blank" >https://doi.org/10.1039/c8dt03373k</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c8dt03373k" target="_blank" >10.1039/c8dt03373k</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Electron- poor hemilabile dicationic palladium NHC complexes - Synthesis, structure and catalytic activity

Popis výsledku v původním jazyce

We present a new class of dicationic palladium NHC complexes with two carbene ligands bearing different aryl substituents and a hemilabile pyrimidyl group. They can either be synthesized from the imidazolium salts via the silver transmetalation route to a halide-free palladium(ii) precursor or by direct deprotonation by palladium acetate. For four complexes we could determine their solid-state structures by X-ray diffraction experiments. Insight gained by NMR spectroscopy and DFT calculations revealed that in solution the two potentially bidentate ligands interchange between chelating and non-chelating coordination modes. The preference of these coordination modes is governed by the steric influence of the different ligands. The complexes were shown to be active catalysts for the hydroarylation of alkynes, and their performance was rationalized by DFT calculations.

Název v anglickém jazyce

Electron- poor hemilabile dicationic palladium NHC complexes - Synthesis, structure and catalytic activity

Popis výsledku anglicky

We present a new class of dicationic palladium NHC complexes with two carbene ligands bearing different aryl substituents and a hemilabile pyrimidyl group. They can either be synthesized from the imidazolium salts via the silver transmetalation route to a halide-free palladium(ii) precursor or by direct deprotonation by palladium acetate. For four complexes we could determine their solid-state structures by X-ray diffraction experiments. Insight gained by NMR spectroscopy and DFT calculations revealed that in solution the two potentially bidentate ligands interchange between chelating and non-chelating coordination modes. The preference of these coordination modes is governed by the steric influence of the different ligands. The complexes were shown to be active catalysts for the hydroarylation of alkynes, and their performance was rationalized by DFT calculations.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Dalton Transactions

ISSN

1477-9226

e-ISSN

—

Svazek periodika

47

Číslo periodika v rámci svazku

46

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

13

Strana od-do

16638-16650

Kód UT WoS článku

000451657900032

EID výsledku v databázi Scopus

2-s2.0-85057198059