Observation of a re-entrant phase transition in the molecular complex tris(μ₂-3,5-diisopropyl-1,2,4-triazolato-κ²N¹:N²)trigold(I) under high pressure

Abstract

Single-crystal crystallography shows that one polytype of the AuI trimer tris(μ2-3,5-diiso­propyl-1,2,4-triazolato-κ2 N 1:N 2)trigold(I), [Au3(N3C8H14)3], undergoes four successive phase transitions between 1 and 3.5 GPa, driven by aurophilic interactions, and that the ambient-pressure structure re-emerges at high pressure.

Investigation of Solvatomorphism and Its Photophysical Implications for Archetypal Trinuclear Au3(1-Methylimidazolate)3

“…Such a drastic hypsochromic shift at cryogenic temperature has already been observed for CTCs [ 3 , 46 , 47 ]. Raithby et al considered a crystallographic phase transition as the possible origin in the temperature dependent luminescence shifts [ 48 ]. Therefore, we investigated possible structural changes or phase transitions with changing temperature.…”

Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation

“…High pressure measurements on gold complexes showing aurophilic interactions have been performed in the past, especially to modulate the luminescence emission or to study polymorphism. [92][93][94][95][96][97] Further investigations have been done on inorganic salts like AuX or M[Au(CN) 2 ] n to study the solid state compressibility of peculiar arrangements of gold atoms. [98][99][100][101] By selecting 1 as a prototype of the supramolecular architectures formed from the dicyanoaurate and metal-gold complexes with a chelating ligand, high pressure and low temperature measurements have been performed.…”

Kilobytes of kilopascals: high-pressure depositions of the Cambridge Structural Database

“…In the last six years, further growth in the number of deposits was observed, with 1828 deposits found. Out of these, only 2.6% (47 deposits) did not report 3D coordinates, and the most complex structure is that of the P2 1 /c polymorph of tris(-3,5-diisopropyl-1,2,4-triazolato-2 N:N 0 )trigold(I) (CSD refcode HEMTID18; Woodall et al, 2016) obtained above 2 GPa through a solid-state phase transition from the P2 1 /n polymorph, and existing at a pressure of up to 2.7 GPa. It has Z 0 = 4 and 311 symmetry-independent atoms (144 non-H atoms).…”