Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions

Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions Full article

Journal

CrystEngComm
ISSN: 1466-8033

Output data

Year: 2021, Volume: 23, Number: 12, Pages: 2384-2395 Pages count : 12 DOI: 10.1039/d0ce01730b

Authors

Mezentsev-Cherkes Ivan V ¹ , Shestimerova Tatiana Alekseevna ¹ , Medved'Ko Alexey ² , Kalinin Mikhail A ¹ , Kuznetsov Alexey N. ^1,3 , Wei Zheng ⁴ , Dikarev Evgeny V. ⁴ , Vatsadze Sergey Z. ^1,2 , Shevelkov Andrei V ¹

Affiliations

1	Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow, Russia
2	N.D. Zelinsky Institute of Organic Chemistry RAS, 119991 Moscow, Russia
3	N. S. Kurnakov Institute of General and Inorganic Chemistry RAS, 119991 Moscow, Russia
4	Department of Chemistry, University at Albany, SUNY, Albany, New York 12222, USA

A careful selection of organic and inorganic components enables the production of unusual structure types with promising practical properties by facile syntheses. In this paper, we describe novel supramolecular architectures comprising organic adamantane-like divalent building blocks and iodide or polyiodide anions. Highly acidic conditions facilitated the formation of a doubly protonated organic ligand out of 5,7-dimethyl-1,3-diazaadamantane that generates three different crystal structures with inorganic counterions. In these structures, cationic substructures are constructed by transforming neutral organic ligands into [(C10N2H20)I]+ or [(C10N2H20)(H2O)]2+ cations, which crystallize with charge-compensating iodine-based anions of different complexities. All three crystal structures are characterized by various noncovalent forces, ranging from strong (N)H⋯I, (O)H⋯I, and (N)H⋯O hydrogen bonds to secondary and weak I⋯I interactions. Raman and diffuse reflectance spectroscopy as well as DFT calculations were employed to describe the electronic structures and optical properties of new supramolecular architectures, with particular attention to the role of non-covalent interactions.

Mezentsev-Cherkes I.V. , Shestimerova T.A. , Medved'Ko A. , Kalinin M.A. , Kuznetsov A.N. , Wei Z. , Dikarev E.V. , Vatsadze S.Z. , Shevelkov A.V.
Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions
CrystEngComm. 2021. V.23. N12. P.2384-2395. DOI: 10.1039/d0ce01730b WOS Scopus OpenAlex

Web of science:	WOS:000634446300006
Scopus:	2-s2.0-85103472237
OpenAlex:	W3130620181

DB	Citing
OpenAlex	13
Scopus	13
Web of science	12