Exploring coinage bonding interactions in [Au(CN)4]− assemblies with silver and zinc complexes: a structural and theoretical study
Yükleniyor...
Dosyalar
Tarih
2025
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Royal society of chemistry
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
This study investigates the non-covalent interactions between [Au(CN)4]- anions and silver and zinc complexes, with a particular focus on coinage bonding interactions. Four new complexes, [Ag2(pyNP)2][Au(CN)4]2 (1) [Zn(bipy)3][Au(CN)4]2 (2), [Zn(phen)3][Au(CN)4]2 (3) and [Zn(terpy)(H2O)3][Au(CN)4]2 (4), were synthesized and spectroscopically characterized, including their X-ray solid-state structures, where pyNP is (2-(2-pyridyl)-1,8-naphthyridine, bipy is 2,2 ' bipyridine, phen is 1,10 '-phenantroline and terpy is terpyridine. The [Au(CN)4]- anion exhibits unique anion & ctdot;anion interactions, despite the electrostatic repulsion, forming stable 1D supramolecular polymers in the solid state. Using a combination of X-ray crystallography and DFT calculations, this work characterizes the coordination and non-covalent bonding modes, including Au & ctdot;N coinage bonds. Energy decomposition analysis (EDA), QTAIM, and NCIplot methods were applied to understand the energetics and bonding nature. The study reveals that electrostatic and dispersion forces play critical roles in stabilizing these assemblies, especially in the formation of pi-stacking and T-shaped dimers. These findings offer insights into the design of new materials leveraging coinage bonding in molecular architectures.
Açıklama
Anahtar Kelimeler
Kaynak
Physical chemistry chemical physics
WoS Q Değeri
Q1
Scopus Q Değeri
Q1
Cilt
27
Sayı
10
Künye
Giordana, A., Priola, E., Mahmoudi, G., Doustkhah, E., Gomila, R. M., Zangrando, E., ... & Frontera, A. (2025). Exploring coinage bonding interactions in [Au (CN) 4]− assemblies with silver and zinc complexes: a structural and theoretical study. Physical Chemistry Chemical Physics, 27(10), 5395-5402.
