RT info:eu-repo/semantics/article
T1 Color modulation in organometallic dyes. Purple-colored acyclic carbenes derived from 2-isocyanoazulene gold(I) complexes
A1 Domingo de la Rubia, Estela de
A1 Bardají Luna, Manuel
A1 García Moreno, Gregorio
A1 Coco Cea, Silverio
K1 Azulene
K1 Carbene
K1 Dye
K1 Gold
K1 DFT
K1 Organometallic
K1 2303 Química Inorgánica
K1 2303.23 Química de Los Pigmentos
AB This study reports new carbene azulene gold(I) complexes [AuCl{C(NHAz)(NR2)}] (R = Me (1) and nBu (2)) and [Au(C6F4OC10H21){C(NHAz)(NR2)}] (R = Me (3) and nBu (4)) prepared by reaction of 2-isocyanoazulene gold(I) complexes [AuX(CNAz)] (X = Cl and C6F4OC10H21) with the corresponding secondary amines. Their photophysical properties were investigated by absorption and emission spectroscopies, and by TD-DFT calculations. All the compounds display an intense coloration based on HOMO-LUMO transitions, dominated by the azulene core. Gold-isocyanide complexes show a slight bathochromic shift related to azulene, while a hypsochromic shift was observed after formation of carbene complexes. Thus, the transformation of the gold-isocyanide group into the gold-carbene functionality produces a substantial color change from blue to deep purple. This different electronic behavior is mainly due to the stabilization of the LUMO orbital in the isocyanide complexes, and to the stabilization of the HOMO in the carbene derivatives. These carbene gold complexes show fluorescence in solution associated with the azulene core. This work illustrates how the synthetically easy isocyanide-carbene transformation open new perspectives to a fine color modulation in organometallic azulene dyes.
PB Elsevier
SN 0143-7208
YR 2024
FD 2024
LK https://uvadoc.uva.es/handle/10324/73058
UL https://uvadoc.uva.es/handle/10324/73058
LA eng
NO Dyes and Pigments, julio 2024, vol. 226, 112149
NO Producción Científica
DS UVaDOC
RD 21-ene-2025