Premium
Gold(I) Complexes [N{(C 3 F 7 )C(Dipp)N} 2 ]AuL (L = Ethylene, tert ‐Butyl Isocyanide, Tetrahydrothiophene, Triphenylphosphine) and Different Triazapentadienyl Ligand Coordination Modes
Author(s) -
Singh Shreeyukta,
Wang Guocang,
Mao James X.,
Flores Jaime A.,
Kou Xiaodi,
Campana Charles,
Kroll Peter,
Dias H. V. Rasika
Publication year - 2016
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201600878
Subject(s) - tetrahydrothiophene , chemistry , ligand (biochemistry) , adduct , stereochemistry , isocyanide , trans effect , ethylene , crystal structure , crystallography , triphenylphosphine , medicinal chemistry , biochemistry , receptor , organic chemistry , catalysis
Fluorinated 1,3,5‐triazapentadienyl ligand [N{(C 3 F 7 )C(Dipp)N} 2 ] (Dipp = 2,6‐ i Pr 2 C 6 H 3 ) has been used in the synthesis of monomeric gold(I)‐ethylene, t BuNC, tetrahydrothiophene (THT), and PPh 3 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 t BuNCAu[N{(C 3 F 7 )C(Dipp)N} 2 ] and (THT)Au[N{(C 3 F 7 )C(Dipp)N} 2 ] or one of the two terminal nitrogen atoms in [N{(C 3 F 7 )C(Dipp)N} 2 ]Au(THT) and [N{(C 3 F 7 )C(Dipp)N} 2 ]Au(PPh 3 ), or to both terminal nitrogen atoms in the chelated [N{(C 3 F 7 )C(Dipp)N} 2 ]Au(C 2 H 4 ). The triazapentadienyl ligand therefore serves as either κ 1 ‐N or κ 2 ‐NN donor, and the N 3 C 3 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 t BuNCAu[N{(C 3 F 7 )C(Dipp)N} 2 ], (THT)Au[N{(C 3 F 7 )C(Dipp)N} 2 ], [N{(C 3 F 7 )C(Dipp)N} 2 ]Au(THT), and [N{(C 3 F 7 )C(Dipp)N} 2 ]Au(PPh 3 ) display linear geometry, whereas [N{(C 3 F 7 )C(Dipp)N} 2 ]Au(C 2 H 4 ) has a three‐coordinate, trigonal‐planar gold site. Energies of each [N{(CF 3 )C(Dipp)N} 2 ]AuL (L = ethylene, t BuNC, PPh 3 and THT) in κ 2 ‐NN chelating, κ 1 ‐N central, and κ 1 ‐N terminal coordination modes of triazapentadienyl ligand have also been investigated by using DFT.