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Special Issue "Chalcogen-Nitrogen Chemistry"

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

Deadline for manuscript submissions: closed (31 July 2013)

Special Issue Editor

Guest Editor
Prof. Dr. J. Derek Woollins (Website)

Department of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, UK
Interests: synthesis; p block chemistry; phosphorus; sulphur; selenium; tellurium; structural science

Special Issue Information

Dear Colleagues,

Sulfur-nitrogen heterocycles (and Se-N/Te-N systems) have been known for many years but continue to excite attention as a consequence of the exciting new systems which are being prepared sometimes by rather unpredictable routes. Apart from fundamental synthetic and mechanistic chemistry new S-N, organo S-N (and their heavier selenium and tellurium congeners) have great potential in new electronic and magnetic materials. The area encompasses synthesis, heterocycles, ionic materials, conductors, superconductors, new magnetic materials and utilises a wide range of computational and spectroscopic methods.

Prof. Dr. Derek Woollins
Guest Editor

Submission

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. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as 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 refereed through a 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 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 1800 CHF (Swiss Francs).


Keywords

  • sulfur-nitrogen
  • selenium-nitrogen
  • thiazyl
  • selenazole
  • tellurazole
  • heterocycle
  • ring
  • materials
  • synthesis
  • structure
  • magnetism
  • organo-sulfur-nitrogen
  • organo-seleno-nitrogen

Published Papers (3 papers)

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Research

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Open AccessArticle A Variable Temperature X-ray Diffraction Investigation of [PPN+][S4N5]: Supramolecular Interactions Governing an Order/Disorder Transformation and the First High Resolution X-ray Structure of the Anion
Molecules 2014, 19(2), 1956-1975; doi:10.3390/molecules19021956
Received: 14 January 2014 / Revised: 29 January 2014 / Accepted: 30 January 2014 / Published: 12 February 2014
Cited by 1 | PDF Full-text (1433 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
The title salt, triphenyl(P,P,P-triphenylphosphineimidato-kN)-phosphorus(1+) 1,3,5,7-tetrathia(1,5-SIV)-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1,4,6,7-tetraene(1−), CAS [48236-06-2], prepared by the literature method, is found by crystallography to be a 1:1 CH3CN solvate. Disorder exists for the N atoms of the anion. A VT [...] Read more.
The title salt, triphenyl(P,P,P-triphenylphosphineimidato-kN)-phosphorus(1+) 1,3,5,7-tetrathia(1,5-SIV)-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1,4,6,7-tetraene(1−), CAS [48236-06-2], prepared by the literature method, is found by crystallography to be a 1:1 CH3CN solvate. Disorder exists for the N atoms of the anion. A VT crystal structure study was conducted at 100 K, 120 K, 140 K, 172 K, 200 K, 240 K and 280 K. The 100 K structure is superior, with only 10% of a second anion position oppositely-oriented w.r.t the diad axis of point group 2mm. At 120 K, an adjacent two-site disorder is encountered, but at higher temperatures three-site disorder with both opposite and adjacent placements of S4N5 ions is required w.r.t. the primary component. At 240 and especially 280 K, the anion nitrogen atoms appear fully scrambled amongst the six possible sites on the edges of an S4 tetrahedron with 83.3% occupancy for each. The PPN+ geometry does not show strong cation-cation interactions. However, there are numerous supramolecular contacts corresponding mostly to non-classical H-bonds between PPN+ ions and S4N5 as well as CH3CN. The geometry of the anion is corroborated from B3LYP/6-311++G(3df) DFT calculations, and the infra-red spectrum was assigned with excellent agreement between experimental and calculated frequencies. Full article
(This article belongs to the Special Issue Chalcogen-Nitrogen Chemistry)
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Review

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Open AccessReview Transition Metal Complexes and Radical Anion Salts of 1,10-Phenanthroline Derivatives Annulated with a 1,2,5-Tiadiazole and 1,2,5-Tiadiazole 1,1-Dioxide Moiety: Multidimensional Crystal Structures and Various Magnetic Properties
Molecules 2014, 19(1), 609-640; doi:10.3390/molecules19010609
Received: 8 November 2013 / Revised: 26 December 2013 / Accepted: 27 December 2013 / Published: 7 January 2014
Cited by 2 | PDF Full-text (1299 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Advances in the molecular variety and the elucidation of the physical properties of 1,10-phenanthroline annulated with 1,2,5-thiadiazole and 1,2,5-thiadiazole 1,1-dioxide moieties have been achieved, and are described herein. A 1,2,5-thiadiazole compound, [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline (tdap), was used as a ligand to create [...] Read more.
Advances in the molecular variety and the elucidation of the physical properties of 1,10-phenanthroline annulated with 1,2,5-thiadiazole and 1,2,5-thiadiazole 1,1-dioxide moieties have been achieved, and are described herein. A 1,2,5-thiadiazole compound, [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline (tdap), was used as a ligand to create multidimensional network structures based on S•••S and S•••N intermolecular interactions. A 1,2,5-thiadiazole 1,1-dioxide compound, [1,2,5] thiadiazolo[3,4-f][1,10]phenanthroline, 1,1-dioxide (tdapO2), was designed to create a stable radical anion, as well as good network structures. Single crystal X-ray structure analyses revealed that transition metal complexes of tdap, and radical anion salts of tdapO2 formed multidimensional network structures, as expected. Two kinds of tdap iron complexes, namely [Fe(tdap)2(NCS)2] and [Fe(tdap)2(NCS)2]•MeCN exhibited spin crossover transitions, and their transition temperatures showed a difference of 150 K, despite their similar molecular structures. Magnetic measurements for the tdapO2 radical anion salts revealed that the magnetic coupling constants between neighboring radical species vary from strongly antiferromagnetic (J = −320 K) to ferromagnetic (J = 24 K), reflecting the differences in their π overlap motifs. Full article
(This article belongs to the Special Issue Chalcogen-Nitrogen Chemistry)
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Open AccessReview Breathing Some New Life into an Old Topic: Chalcogen-Nitrogen π-Heterocycles as Electron Acceptors
Molecules 2013, 18(8), 9850-9900; doi:10.3390/molecules18089850
Received: 3 July 2013 / Revised: 13 August 2013 / Accepted: 14 August 2013 / Published: 16 August 2013
Cited by 27 | PDF Full-text (2445 KB) | HTML Full-text | XML Full-text
Abstract
Recent progress in the design, synthesis and characterization of chalcogen-nitrogen π-heterocycles, mostly 1,2,5-chalcogenadiazoles (chalcogen: S, Se and Te) and their fused derivatives, possessing positive electron affinity is discussed together with their use in preparation of charge-transfer complexes and radical-anion salts—candidate building blocks [...] Read more.
Recent progress in the design, synthesis and characterization of chalcogen-nitrogen π-heterocycles, mostly 1,2,5-chalcogenadiazoles (chalcogen: S, Se and Te) and their fused derivatives, possessing positive electron affinity is discussed together with their use in preparation of charge-transfer complexes and radical-anion salts—candidate building blocks of molecule-based electrical and magnetic functional materials. Full article
(This article belongs to the Special Issue Chalcogen-Nitrogen Chemistry)
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Planned Papers

The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.

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