Halogen Bonding and CO-Ligand Blue-Shift in Hybrid Organic—Organometallic Cocrystals [CpFe(CO)<sub>2</sub>X] (C<sub>2</sub>I<sub>4</sub>) (X = Cl, Br)

Halogen Bonding and CO-Ligand Blue-Shift in Hybrid Organic—Organometallic Cocrystals [CpFe(CO)<sub>2</sub>X] (C<sub>2</sub>I<sub>4</sub>) (X = Cl, Br)

This work is focused on the complex interplay of geometry of I⋯X halogen bonds (HaB) and intermolecular interaction energy in two isomorphic cocrystals [CpFe(CO)<sub>2</sub>X] (C<sub>2</sub>I<sub>4</sub>) (X = Cl (<b>1</b>), Br (<b>2</b>))....

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Bibliographic Details
Main Authors: Yury Torubaev, Ivan Skabitskiy, Sergey Shapovalov, Olga Tikhonova, Anna Popova
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Series:Crystals
Subjects:
halogen bonding
σ-hole
cocrystal
blue-shift
Online Access:https://www.mdpi.com/2073-4352/12/3/412

Internet

https://www.mdpi.com/2073-4352/12/3/412

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