201. Gold(I) Complexes [N{(C3F7)C(Dipp)N}2]AuL (L = Ethylene, tert-Butyl Isocyanide, Tetrahydrothiophene, Triphenylphosphine) and Different Triazapentadienyl Ligand Coordination Modes.
- Author
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Singh, Shreeyukta, Wang, Guocang, Mao, James X., Flores, Jaime A., Kou, Xiaodi, Campana, Charles, Kroll, Peter, and Dias, H. V. Rasika
- Subjects
ETHYLENE ,TERT-Butyl halides ,ISOCYANIDES ,TRIPHENYLPHOSPHINE ,LIGANDS (Chemistry) ,GOLD compounds - Abstract
Fluorinated 1,3,5-triazapentadienyl ligand [N{(C
3 F7 )C(Dipp)N}2 ] (Dipp = 2,6- iPr2 C6 H3 ) has been used in the synthesis of monomeric gold(I)-ethylene, tBuNC, tetrahydrothiophene (THT), and PPh3 complexes. X-ray crystal structures show a rich diversity of coordination modes in which gold coordinates to the central nitrogen atom of 1,3,5-triazapentadienyl ligand in tBuNCAu[N{(C3 F7 )C(Dipp)N}2 ] and (THT)Au[N{(C3 F7 )C(Dipp)N}2 ] or one of the two terminal nitrogen atoms in [N{(C3 F7 )C(Dipp)N}2 ]Au(THT) and [N{(C3 F7 )C(Dipp)N}2 ]Au(PPh3 ), or to both terminal nitrogen atoms in the chelated [N{(C3 F7 )C(Dipp)N}2 ]Au(C2 H4 ). The triazapentadienyl ligand therefore serves as either κ1 -N or κ2 -NN donor, and the N3 C3 backbone adopts either a distorted W- or U-shaped conformation. The gold(I) THT adduct exists as a mixture of two isomers in the solid state, as evident from structural data. The gold(I) atom in tBuNCAu[N{(C3 F7 )C(Dipp)N}2 ], (THT)Au[N{(C3 F7 )C(Dipp)N}2 ], [N{(C3 F7 )C(Dipp)N}2 ]Au(THT), and [N{(C3 F7 )C(Dipp)N}2 ]Au(PPh3 ) display linear geometry, whereas [N{(C3 F7 )C(Dipp)N}2 ]Au(C2 H4 ) has a three-coordinate, trigonal-planar gold site. Energies of each [N{(CF3 )C(Dipp)N}2 ]AuL (L = ethylene, tBuNC, PPh3 and THT) in κ2 -NN chelating, κ1 -N central, and κ1 -N terminal coordination modes of triazapentadienyl ligand have also been investigated by using DFT. [ABSTRACT FROM AUTHOR]- Published
- 2016
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