Quantum Chemical Study of the Lithium Cation Coordination by Dimethylsulfoxide Molecules

Frolov, Yu. L.; Guchik, I. V.; Шагун, В. А.; Vaschenko, A. V.; Трофимов, Б. А.

doi:10.1023/b:jory.0000034797.12076.f7

Cited by 6 publications

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“…Therefore, the N DMSO value is obtained from the following equation: N DMSO = [ DMSO ] solv [ Li + ] ≈ [ DMSO ] [ Li + ] The obtained N DMSO values in various DMSO-based solutions are shown in Tables and . In 1.0 mol dm −3 LiTFSI/DMSO, the N DMSO value was evaluated to be 4.2, which was in good agreement with the previous reports by experiments , and theoretical calculations . It is generally accepted that the solvation number of lithium ion is around 4 in organic solutions. ,, Hence, the N DMSO value of 4.2 is reasonable, suggesting that this experiment was accurate and reliable.…”

Section: Resultssupporting

confidence: 86%

“…In 1.0 mol dm -3 LiTFSI/DMSO, the N DMSO value was evaluated to be 4.2, which was in good agreement with the previous reports by experiments 21,22 and theoretical calculations. 28 It is generally accepted that the solvation number of lithium ion is around 4 in organic solutions. 26,29,30 Hence, the N DMSO value of 4.2 is reasonable, suggesting that this experiment was accurate and reliable.…”

Section: Resultsmentioning

confidence: 99%

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Electrochemical Lithium Intercalation into Graphite in Dimethyl Sulfoxide-Based Electrolytes: Effect of Solvation Structure of Lithium Ion

et al. 2010

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The behavior of electrochemical lithium intercalation at graphite has been investigated in dimethyl sulfoxide (DMSO)-based electrolytes: (1) lithium salt-concentrated solutions and (2) binary solutions with dimethyl carbonate (DMC). The intercalation of DMSO-solvated lithium ion (i.e., cointercalation of DMSO) into graphite occurred during charge in 1.0 mol dm -3 LiN(SO 2 CF 3 ) 2 /DMSO, whereas the use of a salt-concentrated solution (e.g., 3.2 mol dm -3 LiN(SO 2 CF 3 ) 2 /DMSO) or a binary solution (e.g., 1.0 mol dm -3 LiN(SO 2 CF 3 ) 2 /DMSO: DMC (1:4.8 by vol)) allowed for the intercalation and deintercalation of lithium ion at graphite. Raman spectra of these solutions showed that the solvation number of DMSO molecules toward lithium ion (N DMSO ) decreased from 4.2 in a conventional solution to around 2 in the salt-concentrated solution and the binary solution. A comparison between the behavior of graphite and the N DMSO values has clarified that the N DMSO value of 3 is a criterion for determining whether the intercalation of lithium ion or solvated lithium ion occurs. A series of our results suggests a new approach for the suppression of the cointercalation of solvents: the decrease in the solvation number of the relevant solvents toward lithium ion.

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Section: Resultssupporting

confidence: 86%

Section: Resultsmentioning

confidence: 99%

Electrochemical Lithium Intercalation into Graphite in Dimethyl Sulfoxide-Based Electrolytes: Effect of Solvation Structure of Lithium Ion

et al. 2010

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Transition Metal‐Free Direct CH (Hetero)arylation of Heteroarenes: A Sustainable Methodology to Access (Hetero)aryl‐Substituted Heteroarenes

et al. 2015

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In recent years, environmental and economic reasons have motivated the development of transition metalfree carbon-carbon bond forming reactions and some excellent reviews have covered this research area of particular interest for pharmaceutical industry. However, none of these reviews has been specifically dedicated to summarize and discuss the results achieved in the rapidly growing field of the transition metal-free direct (hetero)arylation reactions of heteroarenes. This review, which covers the literature from 2008 to 2014, aims to provide a thorough insight of the synthetic and mechanistic aspects of these atom economical and environmental benign reactions also highlighting their advantages and possible disadvantages compared to conventional methods for the synthesis of arylheteroarenes and biheteroaryls via transition metal-catalyzed reactions. 1. Introduction 2. Direct (Hetero)arylation of Heteroarenes with (Hetero)aryl Halides or Pseudohalides 3. Direct (Hetero)arylation of Heteroarenes with (Hetero)aryl Iodonium Salts 4. Direct Arylation of Heteroarenes with Anilines Nitrosated in situ or Arylhydrazines 5. Direct Arylation of Benzothiazoles with Aryl Aldehydes 6. Direct (Hetero)arylation of Heteroarenes with (Hetero)arylmetals 7. Conclusions

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Theoretical evaluation of some interactions in the system of acetylene-alkali metal hydroxide-DMSO

et al. 2009

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Quantum Chemical Study of the Lithium Cation Coordination by Dimethylsulfoxide Molecules

Cited by 6 publications

References 7 publications

Electrochemical Lithium Intercalation into Graphite in Dimethyl Sulfoxide-Based Electrolytes: Effect of Solvation Structure of Lithium Ion

Electrochemical Lithium Intercalation into Graphite in Dimethyl Sulfoxide-Based Electrolytes: Effect of Solvation Structure of Lithium Ion

Transition Metal‐Free Direct CH (Hetero)arylation of Heteroarenes: A Sustainable Methodology to Access (Hetero)aryl‐Substituted Heteroarenes

Theoretical evaluation of some interactions in the system of acetylene-alkali metal hydroxide-DMSO

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