Cation− π interaction: Its role and relevance in chemistry, biology, and material science

AS Mahadevi, GN Sastry - Chemical reviews, 2013 - ACS Publications
Noncovalent interactions are essential for the existence of solid and liquid phases. 1, 2
Traditionally touted as weak forces, quantification of these interactions, which govern the …

Theoretical chemistry of gold. III

P Pyykkö - Chemical Society Reviews, 2008 - pubs.rsc.org
Gold is an element whose unique properties are strongly influenced by relativistic effects. A
large body of appropriate calculations now exists and its main conclusions are summarized …

High-Efficiency Pure Blue Circularly Polarized Phosphorescence from Chiral N-Heterocyclic-Carbene-Stabilized Copper(I) Clusters

XH Ma, Y Si, JH Hu, XY Dong, G Xie… - Journal of the …, 2023 - ACS Publications
Circularly polarized luminescence (CPL) materials have attracted considerable attention for
their promising applications in encryption, chiral sensing, and three-dimensional (3D) …

Aromaticity and antiaromaticity in transition-metal systems

DY Zubarev, BB Averkiev, HJ Zhai, LS Wang… - Physical Chemistry …, 2008 - pubs.rsc.org
Aromaticity is an important concept in chemistry primarily for organic compounds, but it has
been extended to compounds containing transition-metal atoms. Recent findings of …

Coordination-Induced Trigger for Activity: N-Heterocyclic Carbene-Decorated Ceria Catalysts Incorporating Cr and Rh with Activity Induction by Surface Adsorption …

S Ikemoto, S Muratsugu, T Koitaya, Y Tsuji… - Journal of the …, 2022 - ACS Publications
A coordination-induced trigger for catalytic activity is proposed on an N-heterocyclic carbene
(NHC)-decorated ceria catalyst incorporating Cr and Rh (ICy-r-Cr0. 19Rh0. 06CeO z). ICy-r …

Synthesis, Structural Characterization, and Luminescence of New Silver Aggregates Containing Short Ag−Ag Contacts Stabilized by Functionalized Bis(N …

B Liu, W Chen, S Jin - Organometallics, 2007 - ACS Publications
The imidazolium salts bis (N-(pyridylmethyl) imidazoliumyl) methane hexafluorophosphate
(H2L1⊙(PF6) 2), 2, 2 '-bis (N-(pyridylmethyl) imidazoliumyl) ethyl ether (H2L2⊙(PF6) 2), 2 …

Theoretical characterization of cyclic thiolated gold clusters

H Grönbeck, M Walter, H Häkkinen - Journal of the American …, 2006 - ACS Publications
The density functional theory is used to explore structural, energetic, vibrational, and optical
properties of thiolated gold clusters (MeSAu) x with x= 2− 12. Clusters up to (MeSAu) 4 …

Planar and cagelike structures of gold clusters: Density-functional pseudopotential calculations

EM Fernández, JM Soler, LC Balbás - Physical Review B—Condensed Matter …, 2006 - APS
We study why gold forms planar and cagelike clusters while copper and silver do not. We
use density functional theory and norm-conserving pseudopotentials with and without a …

PtZnH5, A σ-Aromatic Cluster

X Zhang, G Liu, G Ganteför, KH Bowen… - The journal of …, 2014 - ACS Publications
We report a joint photoelectron spectroscopic and theoretical study of the PtZnH5–cluster
anion. This cluster exhibited an unprecedented planar pentagonal coordination for Pt and …

The role of the 5f orbitals in bonding, aromaticity, and reactivity of planar isocyclic and heterocyclic uranium clusters

AC Tsipis, CE Kefalidis, CA Tsipis - Journal of the American …, 2008 - ACS Publications
The molecular and electronic structures, stabilities, bonding features and magnetic
properties of prototypical planar isocyclic cyclo-U n X n (n= 3, 4; X= O, NH) and heterocyclic …