Halogen Bonding and CO-Ligand Blue-Shift in Hybrid Organic—Organometallic Cocrystals [CpFe(CO)2X] (C2I4) (X = Cl, Br)
Abstract
:1. Introduction
2. Materials and Methods
2.1. Materials
2.2. General Co-Crystallization Procedure
2.3. X-ray Structure Determinations
2.4. Computations
3. Results
3.1. Preparation and Crystal Structure of [CpFe(CO)2X]·(C2I4) (X = Cl, Br)
3.2. Electronic Structure and IR Spectroscopy
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Torubaev, Y.; Skabitskiy, I.; Shapovalov, S.; Tikhonova, O.; Popova, A. Halogen Bonding and CO-Ligand Blue-Shift in Hybrid Organic—Organometallic Cocrystals [CpFe(CO)2X] (C2I4) (X = Cl, Br). Crystals 2022, 12, 412. https://doi.org/10.3390/cryst12030412
Torubaev Y, Skabitskiy I, Shapovalov S, Tikhonova O, Popova A. Halogen Bonding and CO-Ligand Blue-Shift in Hybrid Organic—Organometallic Cocrystals [CpFe(CO)2X] (C2I4) (X = Cl, Br). Crystals. 2022; 12(3):412. https://doi.org/10.3390/cryst12030412
Chicago/Turabian StyleTorubaev, Yury, Ivan Skabitskiy, Sergey Shapovalov, Olga Tikhonova, and Anna Popova. 2022. "Halogen Bonding and CO-Ligand Blue-Shift in Hybrid Organic—Organometallic Cocrystals [CpFe(CO)2X] (C2I4) (X = Cl, Br)" Crystals 12, no. 3: 412. https://doi.org/10.3390/cryst12030412