The features of iodine loss at high temperatures

Yushina, I. D.; Pikhulya, Denis G.; Барташевич, Е. В.

doi:10.1007/s10973-019-08442-y

Cited by 14 publications

(22 citation statements)

References 34 publications

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“…This fact may be due to the existence of four S…I interactions involving both the terminal iodine atoms of triiodide anion in 2b, organized in such a way that the anion is trapped into the cage of four neighboring organic cations (Figure 3b). This fact can lead to a higher retention of iodine in the melt, as typically the first decomposition stage of polyiodides usually includes the loss of I2 from the triiodide anion [64,65]. Similar conclusions concerning melting and decomposition of crystals with C-Se…O/N chalcogen bonds were found in a recent study [66].…”

Section: Thermal Analysis Datasupporting

confidence: 75%

Noncovalent Bonds, Spectral and Thermal Properties of Substituted Thiazolo[2,3-b][1,3]thiazinium Triiodides

et al. 2019

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The interrelation between noncovalent bonds and physicochemical properties is in the spotlight due to the practical aspects in the field of crystalline material design. Such study requires a number of similar substances in order to reveal the effect of structural features on observed properties. For this reason, we analyzed a series of three substituted thiazolo[2,3-b][1,3]thiazinium triiodides synthesized by an iodocyclization reaction. They have been characterized with the use of X-ray diffraction, Raman spectroscopy, and thermal analysis. Various types of noncovalent interactions have been considered, and an S…I chalcogen bond type has been confirmed using the electronic criterion based on the calculated electron density and electrostatic potential. The involvement of triiodide anions in the I…I halogen and S…I chalcogen bonding is reflected in the Raman spectroscopic properties of the I–I bonds: identical bond lengths demonstrate different wave numbers of symmetric triiodide vibration and different values of electron density at bond critical points. Chalcogen and halogen bonds formed by the terminal iodine atom of triiodide anion and numerous cation…cation pairwise interactions can serve as one of the reasons for increased thermal stability and retention of iodine in the melt under heating.

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Section: Thermal Analysis Datasupporting

confidence: 75%

Noncovalent Bonds, Spectral and Thermal Properties of Substituted Thiazolo[2,3-b][1,3]thiazinium Triiodides

et al. 2019

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“…Similar melting points and mass loss onset temperatures were observed for all three compositionally similar cocrystals based on p ‐F 4 DIB, as well as the two polymorphs involving 1,3,5‐F 3 I 3 B. These are also consistently lower melting points than in the triiodide salts where halogen bonding occurs between iodine atoms of the triiodide anion and an iodine atom on the cationic species [31,32] …”

Section: Resultssupporting

confidence: 65%

“…Based on the mass loss in this range, we surmise the total loss of the organoiodine species as well as I 2 from the decomposition of the triiodide anion. While in some previously reported systems individual polyiodide decomposition steps can be differentiated by TGA and DSC, [31,32] in all the cases within this study, the decomposition was observed in a single mass loss step, and even at varying heating rates, individual thermal events corresponding to the loss of these components could not be distinguished. Similar melting points and mass loss onset temperatures were observed for all three compositionally similar cocrystals based on p-F 4 DIB, as well as the two polymorphs involving 1,3,5-F 3 I 3 B.…”

Section: Resultscontrasting

confidence: 60%

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Halogen Bonding of Organoiodines and Triiodide Anions in (NMe₃Ph)⁺ Salts

Peloquin

Kobra

et al. 2021

ChemPlusChem

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To study the role of the triiodide (I 3 ) À anion in establishing various halogen bonding patterns, the trimethylphenylammonium iodide (NMe 3 PhI) salt was reacted with diiodine (I 2 ) in the presence of a series of organoiodines, tetraiodoethylene (TIE), 1,2-diiodo-3,4,5,6-tetrafluorobenzene (o-F 4 DIB), 1,4-diiodo-2,3,5,6-tetrafluorobenzene (p-F 4 DIB), and 1,3,5-trifluoro-2,4,6-triiodobenzene (1,3,5-F 3 I 3 B) to form cocrystals of the organoiodines with the trimethylphenylammonium triiodide (NMe 3 PhI 3 ) salt. Single-crystal X-ray crystallography revealed the (I 3 ) À anion served as a halogen bond acceptor for the organoiodine donors, forming a variety of 1-D, 2-D, and 3-D packing arrangements through I•••I halogen bonding. Significant asymmetry was observed within the (I 3 ) À anion. The melting points of the cocrystalline materials, as determined by simultaneous DSC/TGA, ranged from 43°C to 119°C and showed a strong dependence on the identity of the organoiodine incorporated into the crystal lattice.

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“…Among organic condensed heterocycles, quinoxaline and oxazine derivatives have been recently suggested (Ren et al, 2018) as promising synthons for the design of increased Stokes shift dyes. In connection with this, crystal packings of thiazolo(azino)quinolinium and oxazinoquinolinium mono-and polyiodides have been recently studied to discover structureproperty relationships and electronic characteristics in this group of organic solids (Yushina et al, 2015(Yushina et al, , 2020Bartashevich et al, 2014Bartashevich et al, , 2016Rudakov et al, 2018;Dutta et al, 2019). The ability of monoiodides to catch excess of iodine from vapors or after mechanochemical treatment with solid iodine allows synthesis of compounds with a desirable combination of electrical, optical and bacteriostatic properties and can be used in iodine trapping.…”

Section: Introductionmentioning

confidence: 99%

The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides

Yushina¹,

Крылов²,

Leonidov³

et al. 2021

Acta Crystallogr Sect B

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Crystalline chalcogenazinoquinolinium monoiodides, where the chalcogen atom is oxygen and sulfur, have been studied using a combination of X-ray diffraction, Raman and UV-vis spectroscopies and photoluminescence experimental techniques. Periodic quantum-chemical calculations have been performed to characterize the features of electronic structure and vibrational assignment. X-ray diffraction and Raman spectroscopy experiments consistently reveal phase transition of thiazinoquinolinium monoiodide at low temperatures with the decrease of symmetry to P 1. The luminescence study for oxazinoquinolinium monoiodide reveals the excitation maximum at 532 nm and emission at 650 nm with significantly higher intensity than for the thiazinoquinolinium derivative. The studied chalcogenazinoquinolinium monoiodides demonstrate high values of Stokes shift up to 150 nm.

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The features of iodine loss at high temperatures

Cited by 14 publications

References 34 publications

Noncovalent Bonds, Spectral and Thermal Properties of Substituted Thiazolo[2,3-b][1,3]thiazinium Triiodides

Noncovalent Bonds, Spectral and Thermal Properties of Substituted Thiazolo[2,3-b][1,3]thiazinium Triiodides

Halogen Bonding of Organoiodines and Triiodide Anions in (NMe₃Ph)⁺ Salts

The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides

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The features of iodine loss at high temperatures

Cited by 14 publications

References 34 publications

Noncovalent Bonds, Spectral and Thermal Properties of Substituted Thiazolo[2,3-b][1,3]thiazinium Triiodides

Noncovalent Bonds, Spectral and Thermal Properties of Substituted Thiazolo[2,3-b][1,3]thiazinium Triiodides

Halogen Bonding of Organoiodines and Triiodide Anions in (NMe3Ph)+ Salts

The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides

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Halogen Bonding of Organoiodines and Triiodide Anions in (NMe₃Ph)⁺ Salts