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Crystals
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Reviews of Crystal Engineering
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Reviews of Crystal Engineering

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".

Deadline for manuscript submissions: 31 July 2025 | Viewed by 19905

Special Issue Editor

Prof. Dr. Sławomir Grabowski

E-Mail Website
Guest Editor
Kimika Fakultatea, Euskal Herriko Unibertsitatea UPV/EHU, Donostia International Physics Center (DIPC), P.K. 1072, 20080 Donostia, Spain
Interests: hydrogen bond; lewis acid–Lewis base interactions; atoms in molecules theory; ab initio calculations
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

It is my great pleasure and honour as Collection Editor to announce a Topical Collection entitled "Reviews of Crystal Engineering".

The purpose of this Collection is to collect reviews related to the crystal chemistry of distinguished researchers; that is why this announcement has been directed to you.

Papers on all topics connected with crystal structures, the phenomena that occur in crystals, the intermolecular interactions in crystals, their different kinds of structures, the relationships between parameters describing molecular structures, etc., are welcome. In other words, all topics that are within the crystal engineering area or within the scope of crystal chemistry will be considered for publication in this Topical Collection.

One can see https://www.mdpi.com/journal/crystals/sections/crystal_engineering for the Crystal Engineering section information.

Prof. Dr. Sławomir Grabowski
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. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2100 CHF (Swiss Francs). 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

  • inter- and intramolecular interactions
  • σ-hole and π-hole bonds
  • molecular crystals
  • cooperativity effects
  • structure motifs
  • molecular geometry
  • the correlation of parameters describing structures
  • substituent effects
  • structures of aromatic compounds
  • charge density analysis
  • comparison of various interactions

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (6 papers)

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Review

20 pages, 4077 KiB  
Review
On the Importance of Squaramide and Squarate Derivatives as Metal–Organic Framework Building Blocks
by Catalina Nicolau, María de las Nieves Piña, Jeroni Morey and Antonio Bauzá
Crystals 2025, 15(4), 294; https://doi.org/10.3390/cryst15040294 - 24 Mar 2025
Viewed by 305
Abstract
In this review article the synthesis and solid state structure of squaramide/squarate based metal–organic frameworks (MOFs) are analyzed and discussed. In detail, a thorough search in the literature revealed the successful utilization of these two organic molecules as MOF building blocks capable of [...] Read more.
In this review article the synthesis and solid state structure of squaramide/squarate based metal–organic frameworks (MOFs) are analyzed and discussed. In detail, a thorough search in the literature revealed the successful utilization of these two organic molecules as MOF building blocks capable of catalyzing (i) water splitting reactions, (ii) electrocatalytic oxygen evolution reactions, and (iii) Michael addition reactions. Additionally, some of the highlighted examples also utilized these two molecular synthons to compose MOFs exhibiting gas adsorbent properties, concretely for capturing propadiene and propylene. In each of the selected examples a theoretical study of the noncovalent interactions (NCIs) established between the squaramide/squarate-based MOF and the guest molecules trapped inside was carried out, providing additional information regarding the strength of the MOF–guest interactions, which certainly influence the catalytic/adsorbent capabilities of these materials. We believe that the examples collected herein will be useful for those scientists working in the fields of supramolecular chemistry, crystal engineering, catalysis, and materials science by providing a retrospective guide on the role of squaramide and squarate in the formation of MOFs. Full article
(This article belongs to the Special Issue Reviews of Crystal Engineering)
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32 pages, 19962 KiB  
Review
Noncovalent Interactions in Coordination Chemistry of Cyclic Trinuclear Copper(I) and Silver(I) Pyrazolates
by Arina Olbrykh, Gleb Yakovlev, Aleksei Titov and Elena Shubina
Crystals 2025, 15(2), 115; https://doi.org/10.3390/cryst15020115 - 23 Jan 2025
Viewed by 817
Abstract
Group 11 metals form with pyrazolate ligand complexes with a general formula of [MPz]n. The value of “n” varies depending on the type of substituent in the ligand and the metal atom. Copper(I) and silver(I) ions mainly form cyclic di-, tri-, [...] Read more.
Group 11 metals form with pyrazolate ligand complexes with a general formula of [MPz]n. The value of “n” varies depending on the type of substituent in the ligand and the metal atom. Copper(I) and silver(I) ions mainly form cyclic di-, tri-, and tetra-nuclear complexes or polymeric structures. Cyclic trinuclear d10 metal pyrazolates [MPzm]3 (M = Cu(I) and Ag(I); Pz = substituted pyrazolate ligand) are of particular interest because their planar structure allows them to form supramolecular aggregates via noncovalent metal–metal, metal–π, and metal–electron donor interactions. Designing complexes based on these interactions has been a focus of research for the last two decades. The ability of cyclic trinuclear copper(I) and silver(I) pyrazolates to form coordination and supramolecular structures determines their properties and potential applications in catalysis, gas sensing, molecular recognition, and photoluminescence. In this review, we discuss noncovalent interactions between cyclic trinuclear silver(I) and copper(I) complexes with various types of ligands. Full article
(This article belongs to the Special Issue Reviews of Crystal Engineering)
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Graphical abstract

35 pages, 14744 KiB  
Review
Review of the Properties of GaN, InN, and Their Alloys Obtained in Cubic Phase on MgO Substrates by Plasma-Enhanced Molecular Beam Epitaxy
by Edgar López Luna and Miguel Ángel Vidal
Crystals 2024, 14(9), 801; https://doi.org/10.3390/cryst14090801 - 11 Sep 2024
Viewed by 1998
Abstract
Gallium nitride (GaN) semiconductors and their broadband InGaN alloys in their hexagonal phase have been extensively studied over the past 30 years and have allowed the development of blue-ray lasers, which are essential disruptive developments. In addition to high-efficiency white light-emitting diodes, which [...] Read more.
Gallium nitride (GaN) semiconductors and their broadband InGaN alloys in their hexagonal phase have been extensively studied over the past 30 years and have allowed the development of blue-ray lasers, which are essential disruptive developments. In addition to high-efficiency white light-emitting diodes, which have revolutionized lighting technologies and generated a great industry around these semiconductors, several transistors have been developed that take advantage of the characteristics of these semiconductors. These include power transistors for high-frequency applications and high-power transistors for power electronics, among other devices, which have far superior achievements. However, less effort has been devoted to studying GaN and InGaN alloys grown in the cubic phase. The metastable or cubic phase of III-N alloys has superior characteristics compared to the hexagonal phase, mainly because of the excellent symmetry. It can be used to improve lighting technologies and develop other devices. Indium gallium nitride, InxGa1−xN alloy, has a variable band interval of 0.7 to 3.4 eV that covers almost the entire solar spectrum, making it a suitable material for increasing the efficiencies of photovoltaic devices. In this study, we successfully synthesized high-quality cubic InGaN films on MgO (100) substrates using plasma-assisted molecular beam epitaxy (PAMBE), demonstrating tunable emissions across the visible spectrum by varying the indium concentration. We significantly reduced the defect density and enhanced the crystalline quality by using an intermediate cubic GaN buffer layer. We not only developed a heterostructure with four GaN/InGaN/GaN quantum wells, achieving violet, blue, yellow, and red emissions, but also highlighted the immense potential of cubic InGaN films for high-efficiency light-emitting diodes and photovoltaic devices. Achieving better p-type doping levels is crucial for realizing diodes with excellent performance, and our findings will pave the way for this advancement. Full article
(This article belongs to the Special Issue Reviews of Crystal Engineering)
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20 pages, 2058 KiB  
Review
Variable Combinations of Tridentate Ligands in Pt(η3-X3L)(PL) Derivatives: Structural Aspects
by Milan Melník, Veronika Mikušová and Peter Mikuš
Crystals 2023, 13(4), 599; https://doi.org/10.3390/cryst13040599 - 1 Apr 2023
Viewed by 1327
Abstract
This review covers over fifty Pt(II) monomeric complexes with a wide combination of η3-ligands of the composition Pt(η3-X3L)(PL), (X3 = N3; S3; Te3; ONO; CNC, SeNSe; ONC; ONS; CNS; NNC, [...] Read more.
This review covers over fifty Pt(II) monomeric complexes with a wide combination of η3-ligands of the composition Pt(η3-X3L)(PL), (X3 = N3; S3; Te3; ONO; CNC, SeNSe; ONC; ONS; CNS; NNC, NNS; NNSe, SOS; SBS; NON; SSO). The η3-ligand with monodentate PL displays distorted square-planar geometry about Pt(II) atoms. The structural parameters (Pt-L, L-Pt-L) are analyzed and discussed, with a particular emphasis on the distortion of square-planar geometry about Pt(II) atoms, as well as of the trans-influence. There is a relation between the membered nature of the metallocycles and the distortion of square-planar geometry about the Pt(II) atoms. The distortion increases as indicated by parameter τ4 in the following order: 0.023 (6+6) < 0.024 (^+5) < 0.040 (5+6) < 0.062 (5+5). Full article
(This article belongs to the Special Issue Reviews of Crystal Engineering)
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25 pages, 24084 KiB  
Review
Supramolecular Association via Hg···S Secondary-Bonding Interactions in Crystals of Organomercury(II) Species: A Survey of the Cambridge Structure Database
by Edward R. T. Tiekink
Crystals 2023, 13(3), 385; https://doi.org/10.3390/cryst13030385 - 23 Feb 2023
Cited by 7 | Viewed by 2079
Abstract
The Cambridge Structural Database has been surveyed for crystals featuring organo-Hg···S secondary-bonding interactions within supramolecular aggregates. Nearly 50% of crystals where Hg···S interactions could potentially form, featured Hg···S contacts within zero- or one-dimensional supramolecular assemblies with only a few examples of two-dimensional arrays [...] Read more.
The Cambridge Structural Database has been surveyed for crystals featuring organo-Hg···S secondary-bonding interactions within supramolecular aggregates. Nearly 50% of crystals where Hg···S interactions could potentially form, featured Hg···S contacts within zero- or one-dimensional supramolecular assemblies with only a few examples of two-dimensional arrays featuring Hg···S interactions. This high propensity of Hg···S contact formation reflects the inherent thiophilic nature of mercury but also the relatively open access to mercury owing to the linear C–Hg–S coordination geometries, the prevalence of close intramolecular Hg···S, Hg···O and Hg···N interactions notwithstanding. Full article
(This article belongs to the Special Issue Reviews of Crystal Engineering)
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Graphical abstract

33 pages, 4960 KiB  
Review
Outstanding Advantages, Current Drawbacks, and Significant Recent Developments in Mechanochemistry: A Perspective View
by Silvina Pagola
Crystals 2023, 13(1), 124; https://doi.org/10.3390/cryst13010124 - 10 Jan 2023
Cited by 47 | Viewed by 11336
Abstract
Although known since antiquity, mechanochemistry has remained dormant for centuries. Nowadays, mechanochemistry is a flourishing research field at the simultaneous stages of gathering data and (often astonishing) observations, and scientific argumentation toward their analysis, for which the combination of interdisciplinary expertise is necessary. [...] Read more.
Although known since antiquity, mechanochemistry has remained dormant for centuries. Nowadays, mechanochemistry is a flourishing research field at the simultaneous stages of gathering data and (often astonishing) observations, and scientific argumentation toward their analysis, for which the combination of interdisciplinary expertise is necessary. Mechanochemistry’s implementation as a synthetic method is constantly increasing, although it remains far from being fully exploited, or understood on the basis of fundamental principles. This review starts by describing many remarkable advantages of mechanochemical reactions, simplifying and “greening” chemistry in solutions. This description is followed by an overview of the current main weaknesses to be addressed in the near future toward the systematic study of its energetics and chemical mechanisms. This review finishes by describing recent breakthrough experimental advances, such as in situ kinetics monitoring using synchrotron X-ray powder diffraction and Raman spectroscopy, plus equally significant computational chemistry approaches, such as quantum mechanochemistry, used for the understanding of covalent or hydrogen bond ruptures in biomolecules or mechanophores in polymers at the single-molecule level. Combined with new technologies to control temperature and pressure in ball mills, these appealing new methods are promising tools for establishing the fundamental knowledge necessary for the understanding of mechanochemical reactivity and mechanisms. Full article
(This article belongs to the Special Issue Reviews of Crystal Engineering)
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