Exploring coinage bonding interactions in [Au(CN)4]− assemblies with silver and zinc complexes: a structural and theoretical study

Basit Öğe Kaydı
dc.authorscopusidGhodrat Mahmoudi / 15765751200
dc.authorscopusidEsmail Doustkhah / 55785922800
dc.authorwosidGhodrat Mahmoudi / AAB-6892-2022
dc.authorwosidEsmail Doustkhah / I-7553-2014
dc.contributor.authorGiordana, Alessia
dc.contributor.authorPriola, Emanuele
dc.contributor.authorMahmoudi, Ghodrat
dc.contributor.authorDoustkhah, Esmail
dc.contributor.authorGomila, Rosa M.
dc.contributor.authorZangrando, Ennio
dc.contributor.authorDiana, Eliano
dc.contributor.authorOperti, Lorenza
dc.contributor.authorFrontera, Antonio
dc.date.accessioned2025-04-17T08:10:51Z
dc.date.available2025-04-17T08:10:51Z
dc.date.issued2025
dc.departmentİstinye Üniversitesi, Mühendislik ve Doğa Bilimleri Fakültesi, Kimya Bölümü
dc.description.abstractThis 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.
dc.description.sponsorshipMinisterio de Ciencia, Innovación y Universidades European Regional Development Fund AEI of Spain
dc.identifier.citationGiordana, 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.
dc.identifier.doi10.1039/d4cp04818k
dc.identifier.endpage5402
dc.identifier.issn1463-9076
dc.identifier.issn1463-9084
dc.identifier.issue10
dc.identifier.pmid39998881
dc.identifier.scopus2-s2.0-86000386036
dc.identifier.scopusqualityQ1
dc.identifier.startpage5395
dc.identifier.urihttp://dx.doi.org/10.1039/d4cp04818k
dc.identifier.urihttps://hdl.handle.net/20.500.12713/6149
dc.identifier.volume27
dc.identifier.wosWOS:001437748200001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorMahmoudi, Ghodrat
dc.institutionauthorDoustkhah, Esmail
dc.institutionauthoridGhodrat Mahmoudi / 0000-0002-4846-5283
dc.institutionauthoridEsmail Doustkhah / 0000-0003-1459-1756
dc.language.isoen
dc.publisherRoyal society of chemistry
dc.relation.ispartofPhysical chemistry chemical physics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.titleExploring coinage bonding interactions in [Au(CN)4]− assemblies with silver and zinc complexes: a structural and theoretical study
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim
İsim:
d4cp04818k.pdf
Boyut:
3.46 MB
Biçim:
Adobe Portable Document Format
İndir
Lisans paketi
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
license.txt
Boyut:
1.17 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama:
İndir

Koleksiyon

Kimya Bölümü Makale Koleksiyonu