Cl@ Si 20 X 20 cages: evaluation of encapsulation nature, structural rigidity, and 29 Si-NMR patterns using relativistic DFT calculations
D MacLeod-Carey, PL Rodríguez-Kessler… - Physical Chemistry …, 2023 - pubs.rsc.org
The experimental characterization of Cl@ Si20 endohedral clusters, featuring different
ligands such as [Cl@ Si20H20]−(1)[Cl@ Si20H12Cl8]−(2), and [Cl@ Si20Cl20]−(3) …
ligands such as [Cl@ Si20H20]−(1)[Cl@ Si20H12Cl8]−(2), and [Cl@ Si20Cl20]−(3) …
Infinitene as two fused helicoidal trails of fused rings: evaluation of the magnetic behavior of [12] infinitene and anionic species displaying global aromaticity and …
CO Ulloa, A Muñoz-Castro - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
The unique formation of an infinity-shaped carbon backbone made exclusively from fused
benzene rings has recently been achieved. The structure of [12] infinitene can be viewed as …
benzene rings has recently been achieved. The structure of [12] infinitene can be viewed as …
Local and global aromaticity under rotation: analysis of two-and three-dimensional representative carbon nanostructures
Nanoscaled 2D and 3D carbon structures with closed curved π-surfaces are of relevance in
the development of desirable building units for materials science. Such species are able to …
the development of desirable building units for materials science. Such species are able to …
[HTML][HTML] Dual spherical-spherical aromaticity in [M (η2-P4) 2]+(M= Cu, Ag, Au) and [P (P4) 2]+. Evaluation of bonding nature and spherical aromatic character of the P4 …
The favorable coordination of two P 4 units to a coinage metal center, given by [M (η 2–P 4)
2]+ and [P (P 4) 2]+ clusters, offers an interesting template for evaluating how two spherical …
2]+ and [P (P 4) 2]+ clusters, offers an interesting template for evaluating how two spherical …
Spherical Aromaticity of Tetrahedral Pnictogens Through Off‐Nucleus Isotropic Magnetic Shielding
MAH Al‐Yassiri - ChemPhysChem, 2022 - Wiley Online Library
This work revealed the spherical aromaticity of some inorganic E4 cages and their
protonated E4H+ ions (E= N, P, As, Sb, and Bi). For this purpose, we employed several …
protonated E4H+ ions (E= N, P, As, Sb, and Bi). For this purpose, we employed several …
Enabling dual aromaticity in fused nanobelts: evaluation of the magnetic behavior of fused [10] CPP units
D Macleod-Carey, A Muñoz-Castro - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
Cyclo-para-phenylene (CPP) nanobelt structures with curved π-surfaces are of relevance in
the development of desirable building units for materials science. Dimeric [10] CPP motifs …
the development of desirable building units for materials science. Dimeric [10] CPP motifs …
Describing chemical bonding in exotic systems through AdNDP analysis
E Osorio - Atomic Clusters with Unusual Structure, Bonding and …, 2023 - Elsevier
Understanding the electronic structure, chemical bonding, and stability of different boron
conformations, and its combinations with other chemical elements such as hydrogen, silicon …
conformations, and its combinations with other chemical elements such as hydrogen, silicon …
Zintl cluster as a building block of superalkali, superhalogen, and superatom
Zintl ions, a special kind of polyatomic multianionic clusters, mainly belong to groups 13, 14,
and 15 elements of the periodic table. Over the past decades, the scientific communities …
and 15 elements of the periodic table. Over the past decades, the scientific communities …