Structure, stability, reactivity and bonding in noble gas compounds

R Pal, PK Chattaraj - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Noble gases (Ngs) are recognized as the least reactive elements due to their fully filled
valence electronic configuration. Their reluctance to engage in chemical bond formation …

Noble‐noble strong union: Gold at its best to make a bond with a noble gas atom

S Pan, G Jana, G Merino, PK Chattaraj - ChemistryOpen, 2019 - Wiley Online Library
This Review presents the current status of the noble gas (Ng)‐noble metal chemistry, which
began in 1977 with the detection of AuNe+ through mass spectroscopy and then grew from …

A Detailed DFT Study on Electronic Structures and Nonlinear Optical Properties of Doped C30

D Paul, J Deb, U Sarkar - ChemistrySelect, 2020 - Wiley Online Library
We present a systematic study on structural, electronic, optical properties of C30 fullerene
and its six doped counterparts, C10X10Y10 (where, X= B, Al and Y= N, P, As) based on …

[HTML][HTML] How far can one push the noble gases towards bonding?: a personal account

R Saha, G Jana, S Pan, G Merino, PK Chattaraj - Molecules, 2019 - mdpi.com
Noble gases (Ngs) are the least reactive elements in the periodic table towards chemical
bond formation when compared with other elements because of their completely filled …

Characterizing the sensitivity of bonds to the curvature of carbon nanotubes

J Deb, D Paul, U Sarkar, PW Ayers - Journal of Molecular Modeling, 2018 - Springer
The way the bonding and reactivity of armchair carbon nanotubes depends on the curvature
of the nanotube has been investigated using density functional theory. To understand the …

Classifying the chemical bonds involving the noble-gas atoms

S Borocci, F Grandinetti, F Nunzi, N Sanna - New Journal of Chemistry, 2020 - pubs.rsc.org
We propose here a general classification of the Ng–X bonds (Ng= noble-gas atom; X=
binding partner) that relies on the combined analysis of the local electron energy density H …

Cyanide–isocyanide isomerization: stability and bonding in noble gas inserted metal cyanides (metal= Cu, Ag, Au)

G Jana, S Pan, E Osorio, L Zhao, G Merino… - Physical Chemistry …, 2018 - pubs.rsc.org
The internal isomerization, MNC↔ MCN (M= Cu, Ag, Au), is investigated through quantum
chemical computations. CuNC and AgNC are shown to be neither thermochemically nor …

On the Nature of the Partial Covalent Bond between Noble Gas Elements and Noble Metal Atoms

R Pal, PK Chattaraj - Molecules, 2023 - mdpi.com
This article provides a discussion on the nature of bonding between noble gases (Ng) and
noble metals (M) from a quantum chemical perspective by investigating compounds such as …

MNgCCH (M= Cu, Ag, Au; Ng= Xe, Rn): the first set of compounds with M–Ng–C bonding motif

G Jana, S Pan, G Merino… - The Journal of Physical …, 2017 - ACS Publications
Although Ng–M (M= Cu, Ag, Au; Ng= noble gas) and Ng–C bonds are known to exist in
different viable species, we report here a series of systems with formula MNgCCH (Ng= Xe …

Noble gas inserted metal acetylides (metal= Cu, Ag, Au)

G Jana, S Pan, G Merino… - The Journal of Physical …, 2018 - ACS Publications
Metal acetylides (MCCH, M= Cu, Ag, Au) were already experimentally detected in molecular
form. Herein, we investigate the possibility of noble gas (Ng) insertion within the C–H bond …