Investigation of Geminally Diaurated Arene Complexes in the Gas Phase
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F15%3A10312229" target="_blank" >RIV/00216208:11310/15:10312229 - isvavai.cz</a>
Výsledek na webu
<a href="http://dx.doi.org/10.1021/acs.organomet.5b00343" target="_blank" >http://dx.doi.org/10.1021/acs.organomet.5b00343</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.organomet.5b00343" target="_blank" >10.1021/acs.organomet.5b00343</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Investigation of Geminally Diaurated Arene Complexes in the Gas Phase
Popis výsledku v původním jazyce
The stability of gem-diaurated arene complexes [Au-2(L)(2)(mu-aryl)](+) has been investigated by collision-induced dissociation (CID) experiments and density functional theory (DFT) calculations. Performed mass spectrometric experiments revealed the influence of arene-ring substituents and a gold supporting ligand L on the stability of the corresponding diaurated complexes. From the determined appearance energies it emerged that the electron-donating substituents (p-MeO, p-Me, m-MeO, m-Me) strengthen, while the electron-withdrawing ones (p-Cl, p-CN, p-NO2, m-Cl, m-CN, m-NO2) weaken the three-center two-electron bond. More stable gem-diaurated complexes were found with electron-poor supporting ligands. It was found, however, that the electronic influences can be surpassed by the steric factors. Experimental results agree well with the performed DFT calculations at the mPW1PW91/cc-pVDZ:LanL2DZ(Au) level of theory.
Název v anglickém jazyce
Investigation of Geminally Diaurated Arene Complexes in the Gas Phase
Popis výsledku anglicky
The stability of gem-diaurated arene complexes [Au-2(L)(2)(mu-aryl)](+) has been investigated by collision-induced dissociation (CID) experiments and density functional theory (DFT) calculations. Performed mass spectrometric experiments revealed the influence of arene-ring substituents and a gold supporting ligand L on the stability of the corresponding diaurated complexes. From the determined appearance energies it emerged that the electron-donating substituents (p-MeO, p-Me, m-MeO, m-Me) strengthen, while the electron-withdrawing ones (p-Cl, p-CN, p-NO2, m-Cl, m-CN, m-NO2) weaken the three-center two-electron bond. More stable gem-diaurated complexes were found with electron-poor supporting ligands. It was found, however, that the electronic influences can be surpassed by the steric factors. Experimental results agree well with the performed DFT calculations at the mPW1PW91/cc-pVDZ:LanL2DZ(Au) level of theory.
Klasifikace
Druh
J<sub>x</sub> - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
CEP obor
CC - Organická chemie
OECD FORD obor
—
Návaznosti výsledku
Projekt
—
Návaznosti
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2015
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Organometallics
ISSN
0276-7333
e-ISSN
—
Svazek periodika
34
Číslo periodika v rámci svazku
16
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
9
Strana od-do
3979-3987
Kód UT WoS článku
000360322500009
EID výsledku v databázi Scopus
2-s2.0-84940173491