Halogen bonding: A halogen-centered noncovalent interaction yet to be understood

PR Varadwaj, A Varadwaj, HM Marques - Inorganics, 2019 - mdpi.com
In addition to the underlying basic concepts and early recognition of halogen bonding, this
paper reviews the conflicting views that consistently appear in the area of noncovalent …

Understanding hydrogen bonding interactions in crosslinked methylammonium lead iodide crystals: towards reducing moisture and light degradation pathways

WJ Nimens, SJ Lefave, L Flannery… - Angewandte Chemie …, 2019 - Wiley Online Library
Methylammonium lead halide perovskite‐based solar cells have demonstrated efficiencies
as high as 24.2%, highlighting their potential as inexpensive and solution‐processable …

[HTML][HTML] Definition of the pnictogen bond: A perspective

A Varadwaj, PR Varadwaj, HM Marques, K Yamashita - Inorganics, 2022 - mdpi.com
This article proposes a definition for the term “pnictogen bond” and lists its donors,
acceptors, and characteristic features. These may be invoked to identify this specific subset …

A2AgCrBr6 (A= K, Rb, Cs) and Cs2AgCrX6 (X= Cl, I) double perovskites: a transition-metal-based semiconducting material series with remarkable optics

PR Varadwaj - Nanomaterials, 2020 - pmc.ncbi.nlm.nih.gov
With an interest to quest for transition metal-based halogenated double perovskites AB′ B
″X6 as high performance semiconducting materials for optoelectronics, this study …

[HTML][HTML] The Pnictogen bond: the covalently bound arsenic atom in molecular entities in crystals as a Pnictogen bond donor

A Varadwaj, PR Varadwaj, HM Marques, K Yamashita - Molecules, 2022 - mdpi.com
In chemical systems, the arsenic-centered pnictogen bond, or simply the arsenic bond,
occurs when there is evidence of a net attractive interaction between the electrophilic region …

The chalcogen bond: can it be formed by oxygen?

PR Varadwaj, A Varadwaj, HM Marques… - Physical Chemistry …, 2019 - pubs.rsc.org
Several recent studies have shown that chalcogen bonds originate from the σ-holes
localized on the electron-deficient surface of the Group 16 atoms (sulfur, selenium and …

[HTML][HTML] The Pnictogen Bond, Together with Other Non-Covalent Interactions, in the Rational Design of One-, Two-and Three-Dimensional Organic-Inorganic Hybrid …

A Varadwaj, PR Varadwaj, HM Marques… - International Journal of …, 2022 - mdpi.com
The pnictogen bond, a somewhat overlooked supramolecular chemical synthon known
since the middle of the last century, is one of the promising types of non-covalent …

Cuboctahedral stability in Titanium halide perovskites via machine learning

HA Maddah, V Berry, SK Behura - Computational Materials Science, 2020 - Elsevier
Titanium (Ti)-based halide perovskites with A 2 TiX 6 and ATiX 3 stoichiometry can be
promising alternatives to lead-based perovskites due to their high cuboctahedral stability …

The pnictogen bond forming ability of bonded bismuth atoms in molecular entities in the crystalline phase: a perspective

PR Varadwaj, A Varadwaj, HM Marques… - …, 2023 - pubs.rsc.org
Thousands of crystal structures containing bismuth have been deposited in various crystal
structure databases since late last century; in many, a covalently or coordinately bonded …

Influence of Chloride Substitution on the Rotational Dynamics of Methylammonium in MAPbI3–xClx Perovskites

G Schuck, F Lehmann, J Ollivier, H Mutka… - The Journal of …, 2019 - ACS Publications
Hybrid halide perovskites, MAPbI3, MAPbI2. 94Cl0. 06, and MAPbCl3 (MA,
methylammonium), were investigated using inelastic and quasielastic neutron scattering …