(IUCr) Acta Crystallographica Section C - special issues
- ️IUCr
- ️Fri Nov 24 2023
A series of articles from a session at the 2023 ACA Annual Meeting will explore how crystal structures can be used to understand intermolecular forces and interactions, focusing on tools (such as CrystalExplorer) or specific case studies.
Previously published special issues
Acta Crystallographica Section C has published four special issues on the topics listed below with the aim of expanding the scope and authorship of the journal. It is hoped that the special issues will demonstrate to the scientific community the style of papers that the journal is now inviting. Acta Crystallographica Section C: Structural Chemistry is the journal of choice for publishing any interesting research enabled by the determination, calculation or analysis of small-molecule crystal and molecular structures in the chemical sciences.
Scorpionates (September 2013)
Guest editor: Glenn Yap (University of Delaware, USA; e-mail: gpyap@udel.edu)
This issue includes contributions from some of the best authors in the field of this chemically important family of prolific and work-horse ligands wherein the structure has a palpable effect on reactivity.
Pharmaceuticals, drug discovery and natural products (November 2013)
Guest editor: Chris Frampton (Pharmorphix Solid State Services, Cambridge, UK; e-mail: chris.frampton@sialcom)
This issue addresses and discusses the timeless questions of polymorphism, stereochemistry and H-atom position, and the structural data presented originates not just from X-ray analyses, but also from NMR and computational studies, thus demonstrating the widened scope of the journal.
Interplay of crystallography, spectroscopy and theoretical methods for solving chemical problems (December 2013)
Guest editors: Larry Falvello (Universidad de Zaragoza, Spain; e-mail: falvello@unizar.es) and Alberto Albinati (Universita degli Studi di Milano, Italy; e-mail: alberto.albinati@unimi.it)
This issue presents research articles and scientific comments demonstrating that the vast utility of structure determination is manifest in other techniques in addition to single-crystal diffraction analysis, and that a description of structure can derive immense leverage from physical measurements and computational modelling.
Computational materials discovery (February 2014)
Guest editor: Artem Oganov (State University of New York at Stony Brook, USA; e-mail: artem.oganov@sunysb.edu)
This issue highlights the two most important breakthroughs of this field, i.e. crystal structure prediction and electronic structure calculations, and their applications to specific problems of materials science.
Scorpionates: a golden anniversary (November 2016)
Guest editors: Glenn Yap (University of Delaware, USA; e-mail: gpyap@udel.edu) and Kiyoshi Fujisawa (Ibaraki University, Bunkyo, Mito, Japan; e-mail: kiyoshi.fujisawa.sci@vc.ibaraki.ac.jp)
The year 2016 marks the 50th anniversary of the discovery of scorpionates by Swiatoslaw `Jerry' Trofimenko. The papers in this special issue clearly show that scorpionate chemistry remains relevant, exciting, and productive.
NMR crystallography (March 2017)
Guest editors: David Bryce (University of Ottawa, Canada; e-mail: dbryce@uottawa.ca) and Francis Taulelle (Universite de Versailles Saint Quentin en Yvelines, France; francis.taulelle@uvsq.fr)
The term `crystallography', in its broadest sense, refers to obtaining structural information on crystals and related solids. Diffraction-based methods continue to play an enormous role in this area of research. Nuclear magnetic resonance (NMR) spectroscopy has, however, from its earliest days, also provided structural information on both crystalline and amorphous samples. The contributions to this special issue serve as an excellent introduction to the power and scope of NMR crystallographic methods and applications.
Polyoxometalates (POMs) (November 2018)
Guest editors: José Ramón Galán-Mascarós (Institute of Chemical Research of Catalonia (ICIQ), Spain; e-mail: jrgalan@iciq.es) and Ulrich Kortz (Jacobs University, Germany; e-mail: u.kortz@jacobs-university.de)
The development of polyoxometalate (POM) chemistry during the last half-century or so has benefitted tremendously from single-crystal X-ray diffraction. Besides structural aspects, the study of the physicochemical properties of POMs has developed tremendously in recent decades. The multitude of attractive properties includes controllable size, composition, charge density, redox potential, acid strength, high thermal stability in the solid state, solubility in polar/nonpolar solvents and reversible electron/proton storage. Such versatility renders POMs of interest for academic and industrial applications, especially in catalysis. The contributions to this special issue on POMs provide an excellent overview of the current state of the subject, as well as providing updates to current reseach.
Halogen, chalcogen, pnictogen and tetrel bonds: structural chemistry and beyond (May 2023)
Guest editors: Lee Brammer (University of Sheffield, UK; e-mail: lee.brammer@sheffield.ac.uk), Tom Roseveare (University of Sheffield, UK; e-mail: tom.roseveare@sheffield.ac.uk) and Anssi Peuronen (University of Sheffield, UK, and University of Turku, Finland; e-mail: anssi.peuronen@sheffield.ac.uk)
This virtual special issue brings together 12 articles that cover a variety of aspects associated with halogen, chalcogen, pnictogen and tetrel bonds. There are articles that focus on structure, bonding and bond strength, articles that investigate co-operation or competition between different classes of interactions, articles that explore the relationship between these interactions and chemical or physical properties of the compounds and materials involved, and, although all articles involve characterization by single-crystal X-ray diffraction, a number have a prominent focus on other experimental techniques or are combined with interpretation from theoretical calculations. Halogen bonding and chalcogen bonding dominate these articles, consistent with the wider literature.