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Bonding in Supramolecular Organic Assemblies
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Special Issue "Bonding in Supramolecular Organic Assemblies"

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: 30 April 2024 | Viewed by 1242

Special Issue Editor

Prof. Dr. Vadim P. Boyarskiy

E-Mail Website
Guest Editor
Institute of Chemistry, Saint Petersburg State University, 26 Universitetskii prospect, Petergof, 198504 Saint Petersburg, Russia
Interests: organometallic chemistry of Pd and Pt; homogeneous catalysis; non-covalent interactions; azaheterocycles
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

For more than a century and a half, since the appearance of Kekule's reports, the scientific community has focused on various aspects of bonding in organic compounds. By the end of the 20th century—thanks to discoveries by Lewis, Pauling, Woodward, Hoffmann, Dewar, and other researchers—a complete understanding of covalent bonding seemed to have been attained. However, in the new millennium, this was proven to not be the case, since chemistry in general, and organic chemistry in particular, moved to a higher level of studying the properties of individual compounds and materials.

Technologies using nanometer-sized objects are coming to the fore. The use of these processes leads to a significant reduction in the energy consumption of devices and an increase in the efficiency of production processes. Moreover, new physical and physicochemical phenomena have been discovered at the nanometer scale. It is obvious that the regulated production of nanometer objects is one of the cutting-edge directions of modern science and technology. To design and fabricate nanostructures, either top-down or bottom-up approaches can be applied. The latter method is based on molecular self-assembly that occurs in supramolecular processes. It is not, therefore, unusual that supramolecular chemistry has assumed a leading role in basic science and in nanotechnology.

The self-assembly of nanosized structures requires structural control over individual molecules and molecular ensembles. It is provided by molecular attributes such as morphology, positioning, and geometry of functional groups, which requires thoughtful design. Therefore, in recent decades, the main experimental efforts of scientists studying chemical bonding in organic and organometallic compounds have been focused on structure-directing non-covalent interactions, including hydrogen, halogen, chalcogen, pnictogen, tetrel bonding, π-π stacking interactions, π-hole interaction, etc., which determine the properties and behavior of organic molecules, both at the molecular and supramolecular levels.

In this regard, the main goal of this Special Issue is to collect theoretical and experimental works related to non-covalent bonding involving organic compounds.

Prof. Dr. Vadim P. Boyarskiy
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • structure-directing non-covalent interactions
  • supramolecular organic chemistry
  • molecular ensembles
  • molecular self-assembly

Published Papers (2 papers)

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Research

13 pages, 4261 KiB  
Article
Porous and Close Packed Supramolecular Assemblies from 2,4-Difluoronitrobenzene with Three Different Linkers and an n-Butylamine Cap
by
M. John Plater
,
Abbie J. Esslemont
and
William T. A. Harrison
Int. J. Mol. Sci. 2023, 24(19), 14683; https://doi.org/10.3390/ijms241914683 - 28 Sep 2023
Viewed by 429
Abstract
A porous structure formed from sheets with cavities and two close packed structures were crystallised from building blocks prepared from 2,4-difluoronitrobenzene, a diamine linker and n-butylamine. The porous structure crystallised from a flexible building block prepared using 1,4-diaminobutane as linker. The close [...] Read more.
A porous structure formed from sheets with cavities and two close packed structures were crystallised from building blocks prepared from 2,4-difluoronitrobenzene, a diamine linker and n-butylamine. The porous structure crystallised from a flexible building block prepared using 1,4-diaminobutane as linker. The close packed structures were prepared using either piperazine or 1,4-bis(aminomethyl)benzene as a linker and have less conformational freedom. Full article
(This article belongs to the Special Issue Bonding in Supramolecular Organic Assemblies)
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Graphical abstract

17 pages, 4111 KiB  
Article
Halogen Bonding Involving Isomeric Isocyanide/Nitrile Groups
by
Andrey S. Smirnov
,
Eugene A. Katlenok
,
Alexander S. Mikherdov
,
Mariya A. Kryukova
,
Nadezhda A. Bokach
and
Vadim Yu. Kukushkin
Int. J. Mol. Sci. 2023, 24(17), 13324; https://doi.org/10.3390/ijms241713324 - 28 Aug 2023
Cited by 1 | Viewed by 490
Abstract
2,3,5,6-Tetramethyl-1,4-diisocyanobenzene (1), 1,4-diisocyanobenzene (2), and 1,4-dicyanobenzene (3) were co-crystallized with 1,3,5-triiodotrifluorobenzene (1,3,5-FIB) to give three cocrystals, 1·1,3,5-FIB, 2·2(1,3,5-FIB), and 3·2(1,3,5-FIB), which were studied by X-ray diffraction. A common feature of the three structures is [...] Read more.
2,3,5,6-Tetramethyl-1,4-diisocyanobenzene (1), 1,4-diisocyanobenzene (2), and 1,4-dicyanobenzene (3) were co-crystallized with 1,3,5-triiodotrifluorobenzene (1,3,5-FIB) to give three cocrystals, 1·1,3,5-FIB, 2·2(1,3,5-FIB), and 3·2(1,3,5-FIB), which were studied by X-ray diffraction. A common feature of the three structures is the presence of I···Cisocyanide or I···Nnitrile halogen bonds (HaBs), which occurs between an iodine σ-hole and the isocyanide C-(or the nitrile N-) atom. The diisocyanide and dinitrile cocrystals 2·2(1,3,5-FIB) and 3·2(1,3,5-FIB) are isostructural, thus providing a basis for accurate comparison of the two types of noncovalent linkages of C≡N/N≡C groups in the composition of structurally similar entities and in one crystal environment. The bonding situation was studied by a set of theoretical methods. Diisocyanides are more nucleophilic than the dinitrile and they exhibit stronger binding to 1,3,5-FIB. In all structures, the HaBs are mostly determined by the electrostatic interactions, but the dispersion and induction components also provide a noticeable contribution and make the HaBs attractive. Charge transfer has a small contribution (<5%) to the HaB and it is higher for the diisocyanide than for the dinitrile systems. At the same time, diisocyanide and dinitrile structures exhibit typical electron-donor and π-acceptor properties in relation to the HaB donor. Full article
(This article belongs to the Special Issue Bonding in Supramolecular Organic Assemblies)
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