Polycentric binding in complexes of trimethylamine- N -oxide with dihalogens.
| Autor: | Zarechnaya OM; L.M. Litvinenko Institute of Physical Organic and Coal Chemistry R. Luxemburg St., 70 Donetsk Ukraine v_mikhailov@yahoo.com., Anisimov AA; A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences 28 Vavilov St. 119991 Moscow Russia.; D.I. Mendeleev Russian Chemical Technological University 9 Miusskaya Sq. 125047 Moscow Russia., Belov EY; L.M. Litvinenko Institute of Physical Organic and Coal Chemistry R. Luxemburg St., 70 Donetsk Ukraine v_mikhailov@yahoo.com., Burakov NI; L.M. Litvinenko Institute of Physical Organic and Coal Chemistry R. Luxemburg St., 70 Donetsk Ukraine v_mikhailov@yahoo.com., Kanibolotsky AL; WestCHEM, School of Chemistry, University of Glasgow Glasgow G12 8QQ UK., Mikhailov VA; L.M. Litvinenko Institute of Physical Organic and Coal Chemistry R. Luxemburg St., 70 Donetsk Ukraine v_mikhailov@yahoo.com. |
|---|---|
| Jazyk: | angličtina |
| Zdroj: | RSC advances [RSC Adv] 2021 Feb 03; Vol. 11 (11), pp. 6131-6145. Date of Electronic Publication: 2021 Feb 03 (Print Publication: 2021). |
| DOI: | 10.1039/d0ra08165e |
| Abstrakt: | Dihalogens readily interact with trimethylamine- N -oxide under ambient conditions. Accordingly, herein, stable 1 : 1 adducts were obtained in the case of iodine chloride and iodine bromide. The crystal and molecular structure of the trimethylamine- N -oxide-iodine chloride adduct was solved. Furthermore, the geometry and electronic structure of the trimethylamine- N -oxide-dihalogen complexes were studied computationally. Only molecular ensembles were found in the global minimum for the 1 : 1 stoichiometry. The O⋯X-Y halogen bond is the main factor for the thermodynamic stability of these complexes. Arguments for electrostatic interactions as the driving force for this noncovalent interaction were discussed. Also, the equilibrium structures are additionally stabilised by weak C-H⋯X hydrogen bonds. Consequently, formally monodentate ligands are bound in a polycentric manner. Competing Interests: There are no conflicts to declare. (This journal is © The Royal Society of Chemistry.) |
| Databáze: | MEDLINE |
| Externí odkaz: |
|