Document Type

Article

Journal/Book Title

Chemical Physics

Publication Date

11-11-2019

Publisher

Elsevier BV

Volume

530

First Page

1

Creative Commons License

Creative Commons Attribution-Noncommercial-No Derivative Works 4.0 License
This work is licensed under a Creative Commons Attribution-Noncommercial-No Derivative Works 4.0 License.

Last Page

37

Abstract

Diatomic anions CN-, NO-, and OH- are surrounded by 2, 3, and 4 ligand molecules drawn from the HF, HCl, XF, YF2, ZF3, TF4, and TrF3 set wherein X= Cl,Br, Y=S,Se, Z=P,As, T=Si,Ge, and Tr=Al,Ga. In the case of two ligands, both interact with the N of NO- and the O of OH-, but one approaches either end of CN-. Unlike the H and halogen bonding units, as the number of ligands increases there is a tendency for chalcogen, pnicogen, tetrel, and triel-bonding ligands to form a cage around the central anion, with strong inter-ligand noncovalent bonds. There are a number of unusual features observed as well, including proton transfers from the ligands to the central anion, halogen atom sharing, linearization of normally highly bent YF2 molecules, F-sharing between tetrel atoms, and OH-⸳⸳F H-bonds. Triel-bonding ligands engage in the strongest binding but the patterns of the other types of ligands depend upon the particular central anion and the number of ligands involved.

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