Atomic clusters: Structure, reactivity, bonding, and dynamics
Atomic clusters lie somewhere in between isolated atoms and extended solids with distinctly
different reactivity patterns. They are known to be useful as catalysts facilitating several …
different reactivity patterns. They are known to be useful as catalysts facilitating several …
Noble gas encapsulated B 40 cage
The efficacy of B40 borospherene to act as a host for noble gas atoms is explored via
density functional theory based computations. Although the Ng@ B40 complexes are …
density functional theory based computations. Although the Ng@ B40 complexes are …
Metallocages for Metal Anions: Highly Charged [Co@Ge9]5− and [Ru@Sn9]6− Clusters Featuring Spherically Encapsulated Co1− and Ru2− Anions
BJL Witzel, W Klein, JV Dums, M Boyko… - Angewandte Chemie …, 2019 - Wiley Online Library
Endohedral clusters count as molecular models for intermetallic compounds—a class of
compounds in which bonding principles are scarcely understood. Herein we report soluble …
compounds in which bonding principles are scarcely understood. Herein we report soluble …
On the position of La, Lu, Ac and Lr in the periodic table: a perspective
The periodic table of elements, organised as blocks of elements that contain similar
properties, occupies a central role in chemistry. However, the position of some of the …
properties, occupies a central role in chemistry. However, the position of some of the …
Confinement effects of a noble gas dimer inside a fullerene cage: Can it be used as an acceptor in a DSSC?
D Paul, H Dua, U Sarkar - Frontiers in Chemistry, 2020 - frontiersin.org
A detailed density functional theory investigation of He2-encapsulated fullerene C36 and
C40 has been presented here. When confinement takes place, He-He bond length shortens …
C40 has been presented here. When confinement takes place, He-He bond length shortens …
Quantum chemical prediction of a superelectrophilic dianion and its binding with noble gas atoms
The present communication shows an unprecedented superelectrophilic behaviour of
dianion [BeB11 (CN) 11] 2−, containing a positively charged electrophilic center embedded …
dianion [BeB11 (CN) 11] 2−, containing a positively charged electrophilic center embedded …
Exploring the viability of noble gas endohedral siladodecahedranes and its perhalogenated derivatives
Herein, a study of the thermodynamic and kinetic stability of compounds containing noble
gases (Ngs) encapsulated within the cage-like structure of recently synthesized …
gases (Ngs) encapsulated within the cage-like structure of recently synthesized …
A Robust Calcium–Organic Framework for Effective Separation of Xenon and Krypton
L Wang, W Liu, J Ding, H Zhang, Y Zhu… - Crystal Growth & …, 2021 - ACS Publications
Separation of Xe/Kr mixtures is significant considering their applications and environmental
hazards. However, the similar chemical and physical properties of Xe and Kr raised the …
hazards. However, the similar chemical and physical properties of Xe and Kr raised the …
Possible effects of fluxionality of a cavitand on its catalytic activity through confinement
R Pal, PK Chattaraj - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
The discovery of fullerenes was a huge milestone in the scientific community, and with it
came the urge to discover and analyze various small and large atomic and molecular …
came the urge to discover and analyze various small and large atomic and molecular …
Theoretical investigation of M@ Pb 12 2− and M@ Sn 12 2− Zintl clusters (M= Lr n+, Lu n+, La 3+, Ac 3+ and n= 0, 1, 2, 3)
The positions of lawrencium (Lr), lutetium (Lu), actinium (Ac) and lanthanum (La) in the
periodic table have been a controversial topic for quite some time. According to studies …
periodic table have been a controversial topic for quite some time. According to studies …