Electrochemistry of redox-active Group 15/16 heterocyles

Boeré, René T.; Roemmele, Tracey L.

doi:10.1016/s0010-8545(00)00349-0

Cited by 119 publications

(103 citation statements)

References 126 publications

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“…[ [43]; oxidation is reported to occur at +0.1 V and reduction at -0.85 vs. SCE, but no details on the reversibility of either process were provided [8]. ) which could provide a facile pathway for the conversion of S2N2 to S4N4 [6].…”

Section: [Nsn] -•mentioning

confidence: 99%

“…Attempts to generate the radical cation from chemical oxidation in solution phase have also been tried and have failed [2a]. Similarly, there is no evidence in the literature for an electrochemical oxidation process for S4N4 at accessible potentials [8]. This is consistent with Oakley's assessment that binary S,N compounds are difficult to oxidize, and that the synthesis of salts of [S4N4] 2+ requires very strong oxidizing conditions such as AsF5/SO2 or (FSO3)2/HSOF3 [6].…”

Section: +mentioning

confidence: 99%

“…In the intervening sixteen years, much additional progress has been made on the EPR characterization of paramagnetic molecular species, particularly neutral C,N,S π-radicals which gain considerable thermodynamic and kinetic stability from the incorporation of carbon in the ring frameworks [7]. For binary S,N species there has been no recent progress on the experimental front, but the published electrochemical data was comprehensively reviewed in 2000 [8].…”

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confidence: 99%

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Structures and EPR spectra of binary sulfur–nitrogen radicals from DFT calculations

Boeré

Tuononen

Chivers

et al. 2007

Journal of Organometallic Chemistry

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The scattered electron paramagnetic resonance (EPR) spectroscopic data for binary sulfurnitrogen (S,N) radicals has been compiled and critically assessed. Many of these are inorganic rings or cages. For each species, possible equilibrium structures in the gas phase and the EPR hyperfine coupling (hfc) constants have been calculated with DFT using the B3LYP functional and basis sets of triple- (or better) quality. Good agreement is obtained (through isotopic enrichment). These values were essential for the correct identification of the EPR spectra of this important radical which previously was missassigned to other species.Our results suggest that 33 S data will be equally important for the correct identification of the EPR spectra of other binary S,N species, many of which are cyclic systems, e.g.

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Section: [Nsn] -•mentioning

confidence: 99%

Section: +mentioning

confidence: 99%

mentioning

confidence: 99%

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Structures and EPR spectra of binary sulfur–nitrogen radicals from DFT calculations

Boeré

Tuononen

Chivers

et al. 2007

Journal of Organometallic Chemistry

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“…Its 0/+1 electrochemical potential [2] is 0.33 V [3], and the HeI UPS first vertical ionization energy is ~ 6.8 eV [4]. With electron acceptors, compound 1, as well as its various derivatives, form numerous chargetransfer (CT) complexes and radical-ion salts.…”

Section: Introductionmentioning

confidence: 99%

First charge-transfer complexes between tetrathiafulvalene and 1,2,5-chalcogenadiazole derivatives: Design, synthesis, crystal structures, electronic and electrical properties

et al. 2012

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The first charge-transfer complexes of tetrathiafulvalene (1) with 1,2,5-chalcogenadiazole derivatives, i.e. with [1,2,5]thiadiazolo [3,4-c][1,2,5]thiadiazole (2) and 3,4-dicyano-1,2,5-telluradiazole (3), were prepared in the form of single crystals and structurally defined by X-ray diffraction as 1·2 and 1·3 2 , respectively. Starting compound 2 was synthesized by a new efficient method from 3,4-diamino-1,2,5-oxadiazole and disulfur dichloride. The electronic structure and UV-vis spectral properties of complexes 1·2 and 1·3 2 were studied by means of DFT 2 calculations. The electrical properties of single crystals of the complexes were investigated revealing semiconductor properties with an activation energy of 0.34 eV for 1·2 and 0.40 eV for 1·3 2 . Both complexes displayed photoconductive effects with increased conductivity under white-light illumination.3

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“…[1] It plays an essential role in the design and synthesis of molecular materials, in particular conducting, superconducting, and magnetic materials. [2][3][4][5][6][7][8] The molecular structures of chalcogen-nitrogen compounds are extremely diverse and continue to present a serious challenge to chemical theory in general. [1,9] Their chemical reactivity is also far from being well-understood.…”

Section: Introductionmentioning

confidence: 99%

A Brave New World: The Heteroatom Chemistry of 1,3,2,4‐Benzodithiadiazines and Related Compounds

et al. 2008

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Electrochemistry of redox-active Group 15/16 heterocyles

Cited by 119 publications

References 126 publications

Structures and EPR spectra of binary sulfur–nitrogen radicals from DFT calculations

Structures and EPR spectra of binary sulfur–nitrogen radicals from DFT calculations

First charge-transfer complexes between tetrathiafulvalene and 1,2,5-chalcogenadiazole derivatives: Design, synthesis, crystal structures, electronic and electrical properties

A Brave New World: The Heteroatom Chemistry of 1,3,2,4‐Benzodithiadiazines and Related Compounds

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