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Special Issue "Advances in Chemical Crystallography: A Themed Issue Honoring Professor Alexandra M. Z. Slawin on the Occasion of Her 60th Birthday"

A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: 30 September 2021.

Special Issue Editors

Prof. Dr. William T. A. Harrison
E-Mail Website
Guest Editor
Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, UK
Interests: synthetic and structural inorganic chemistry
Dr. R. Alan Aitken
E-Mail Website
Guest Editor
School of Chemistry, University of St Andrews North Haugh, St Andrews Fife, KY16 9ST, UK
Interests: synthesis; synthetic use of flash vacuum pyrolysis; heterocyclic chemistry; reactive intermediates; organophosphorus; organosulfur; heavier main group chemistry
Dr. Paul Waddell
E-Mail Website
Guest Editor
Chemistry, School of Natural and Environmental Sciences, Newcastle University, Bedson Building, Newcastle upon Tyne NE1 7RU, UK
Interests: X-ray diffraction; spectroscopic techniques; structure-function relationships; optoelectronic materials; intermolecular interactions; physical properties; supramolecular environments

Special Issue Information

Dear Colleagues,

Molecules is delighted to host a Special Issue honouring Prof. Alexandra Slawin FRSE on her 60th birthday for her outstanding contributions to chemical crystallography, including teaching and instrumentation. Alex was educated at Imperial College London (BSc) and Loughborough University (PhD), and since 2004, she has been a Research Professor of Chemistry at the University of St Andrews (Scotland).  

The diffraction facility overseen by Prof. Slawin at St Andrews is amongst the finest in the world, with two rotating anode systems with state-of-the-art area detectors and a fully automated system, which was developed in house and allows non-experts to submit samples which are examined, measured, solved, refined and the results emailed to the researcher.

Alex’s productivity is legendary, and in a survey carried out by the Cambridge Structural Database in 2018, she was ranked 6th in the world for the number of datasets deposited in the CSD and the highest-ranked female. The Web of Science (November 2020) shows her to have 1362 publications, 38,470 citations and a Hirsch h-index of 86. Her papers cover numerous areas of chemistry, including porous materials, metal–organic frameworks, verifying organic mechanisms and total syntheses, main-group chemistry and materials chemistry, and her co-authors include three Nobel prize winners.  

It is a grave concern that crystallography (the most powerful and versatile characterisation technique available) is disappearing from many chemistry degrees, and one especially outstanding aspect of Alex’s activities is her commitment to teaching the practice and theory of the technique to undergraduates and the support that she offers to project students. She is fully committed to diversity and supporting the career development of women scientists.

We wish Alex a happy 60th birthday and many more years of productive and ground-breaking science!

Prof. Dr. William T. A. Harrison
Dr. R. Alan Aitken
Dr. Paul Waddell
Guest Editors

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 papers will be 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. Molecules is an international peer-reviewed open access semimonthly 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 2000 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.

Published Papers (2 papers)

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Research

Article
Synthesis and Single Crystal Structures of N-Substituted Benzamides and Their Chemoselective Selenation/Reduction Derivatives
Molecules 2021, 26(8), 2367; https://doi.org/10.3390/molecules26082367 - 19 Apr 2021
Viewed by 335
Abstract
A series of N-aryl-N-(2-oxo-2-arylethyl) benzamides and cinnamides has been prepared. The reaction of the benzamides with Woollins’ reagent, a highly efficient chemoselective selenation/reduction reagent, gave the corresponding N-aryl-N-(arylenethyl) benzoselenoamides in good yields. Five representative single crystal X-ray structures are discussed. Full article
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Article
[CrIII8NiII6]n+ Heterometallic Coordination Cubes
Molecules 2021, 26(3), 757; https://doi.org/10.3390/molecules26030757 - 02 Feb 2021
Viewed by 829
Abstract
Three new heterometallic [CrIII8NiII6] coordination cubes of formulae [CrIII8NiII6L24(H2O)12](NO3)12 (1), [CrIII8NiII6L24(MeCN)7 [...] Read more.
Three new heterometallic [CrIII8NiII6] coordination cubes of formulae [CrIII8NiII6L24(H2O)12](NO3)12 (1), [CrIII8NiII6L24(MeCN)7(H2O)5](ClO4)12 (2), and [CrIII8NiII6L24Cl12] (3) (where HL = 1-(4-pyridyl)butane-1,3-dione), were synthesised using the paramagnetic metalloligand [CrIIIL3] and the corresponding NiII salt. The magnetic skeleton of each capsule describes a face-centred cube in which the eight CrIII and six NiII ions occupy the eight vertices and six faces of the structure, respectively. Direct current magnetic susceptibility measurements on (1) reveal weak ferromagnetic interactions between the CrIII and NiII ions, with JCr-Ni = + 0.045 cm−1. EPR spectra are consistent with weak exchange, being dominated by the zero-field splitting of the CrIII ions. Excluding wheel-like structures, examples of large heterometallic clusters containing both CrIII and NiII ions are rather rare, and we demonstrate that the use of metalloligands with predictable bonding modes allows for a modular approach to building families of related polymetallic complexes. Compounds (1)–(3) join the previously published, structurally related family of [MIII8MII6] cubes, where MIII = Cr, Fe and MII = Cu, Co, Mn, Pd. Full article
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