5 papers
Very strong chalcogen bonding: Is oxygen in molecules capable of forming it? A First Principles Perspective
Pradeep Varadwaj, Arpita Varadwaj, Helder Marques
There are views prevalent in the noncovalent chemistry literature that i) the O atom in molecules cannot form a chalcogen bond, and ii) if formed, this bond is very weak. We have s…
Definition of the Pnictogen Bond: A Perspective
Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques +1
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 o…
The Pnictogen Bond Formation Ability of Bonded Bismuth Atoms in Molecular Entities in the Crystalline Phase: A Perspective
Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques +1
A bismuth bond, a type of pnictogen bonding interaction, occurs in chemical systems when there is evidence of a net attractive interaction between the electrophilic region of a cov…
Halogen in Materials Design: Revealing the Nature of Hydrogen Bonding and Other Non-Covalent Interactions in the Polymorphic Transformations of Methylammonium Lead Tribromide Perovskite
Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques +1
Methylammonium lead tribromide perovskite (CH3NH3PbBr3, or MAPbBr3) as a photovoltaic material has attracted a great deal of recent interest. Factors that are important in their ap…
Comment on "Extended Halogen Bonding between Fully Fluorinated Aromatic Molecules: Kawai et al., ACS Nano, 2015, 9, 2574"
Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques +1
The nature of fluorine-centered noncovalent interactions between Fully Fluorinated aromatic molecules is revisited.