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Gold(i) ethylene complexes supported by electron-rich scorpionates (2021)
(Royal Society of Chemistry, 2021)
Ethylene complexes of gold(i) have been stabilized by electron-rich, κ2-bound tris(pyrazolyl)borate ligands. Large up-field shifts of olefinic carbon NMR resonances and relatively long C distances of gold bound ethylene ...
Systematic cluster growth: a structure search method for transition metal clusters (2021)
(Royal Society of Chemistry, 2021-02-28)
The systematic cluster growth (SCG) method is a biased structure search strategy based on a seeding process for investigating the structural evolution and growth pattern of transition metal clusters. In SCG, a set of initial ...
Aromaticity of ortho and meta 8-Cycloparaphenylene and Their Dications: Induced Magnetic Field Analysis with Localized and Delocalized Orbitals in Strained Nanohoops (2021)
(John Wiley and Sons Inc, 2021)
Dications of cycloparaphenyles ([n]CPPs) are known to exhibit in-plane global aromaticity, contained in a nanobelt structure. Recently synthesized ortho and meta isomers of [n]CPPs break the radial symmetry of π structure ...
[Sn8]6−-Bridged Mixed-Valence ZnI/ZnII in {[K2ZnSn8(ZnMes)]2}4− Inverse Sandwich-Type Cluster Supported by a ZnI−ZnI Bond (2021)
(John Wiley and Sons Inc, 2021)
Since [Sn8]6− was discovered from the solid-state phase in 2000, its solution chemistry has been elusive due to the high charges and chemical activity. Herein, we report the synthesis and characterization of an inverse ...
[Bi6Mo3(CO)9]4−: a multiple local σ-aromatic cluster containing a distorted Bi6triangular prism (2021)
(Royal Society of Chemistry, 2021-04-18)
The first Zintl cluster containing a distorted Bi6triangular prism, [Bi6Mo3(CO)9]4−, has been synthesized and structurally characterized. Quantum chemical calculations indicated that the distorted cage cluster features ...
Aromaticity in Phenyl Decorated closo-Monocarboranes. Planar-Spherical Aggregates Involving 7-12-Vertex Cages (2021)
(American Chemical Society, 2021)
The characterized phenyl decorated closo-monocarboranes with variable sizes from 7- to 12-vertex cages, [Ph-closo-CBnHn]-, n = 6-11, allow us to address the role of the varying size and shape of the carborane cage in dual ...
An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene (2021)
(Royal Society of Chemistry, 2021-03-28)
The formation of π-aromatic circuits along a grossly warped nanographene, C80H30, containing five- and seven-membered rings inserted into a six-membered mesh, reveals global π-circuits at the edge of the backbone. Based ...
On Heteronuclear Isoelectronic Alternatives to [Au13(dppe)5Cl2]3+: Electronic and Optical Properties of the 18-Electron Os@[Au12(dppe)5Cl2] Cluster from Relativistic Density Functional Theory Computations (2021)
(American Chemical Society, 2021)
The development of well-defined atomically precise heteronuclear nanoclusters passivated by protecting ligands is presently a booming area, owing to the fact that doping well-known homonuclear nanostructures allows fine-tuning ...
Reply to ‘Comment on “Structural characterization, reactivity, and vibrational properties of silver clusters: A new global minimum for Ag16”’ by P. V. Nhat, N. T. Si, L. V. Duong and M. T. Nguyen,Phys. Chem. Chem. Phys., 2021,23, DOI: D1CP00646K (2021)
(Royal Society of Chemistry, 2021-06-14)
Recently, P. V. Nhatet al., have discussed and commented on our article (DOI: 10.1039/D0CP04018E) for the case of the most stable structure of Ag15. They have found a new most stable structure (labeled as 15-1) in comparison ...
[As3M(As3Pb3)]3− (M = Nb, Ta): Ternary Heterometallic Clusters with Early Transition Metal Atoms and Aromatic [Pb3]2− (2021)
(Shanghai Institute of Organic Chemistry, 2021)
Two ternary clusters, [As3Nb(As3Pb3)]3− 1 and [As3Ta(As3Pb3)]3− 2, were directly extracted from “K8NbPbAs5” and “K8TaPbAs5” intermetallic solid in the presence of ethylenediamine and 2.2.2-crypt, respectively. Both 1 and ...