KFU. Card publication. Energetics of substituent effects on the benzene ring: CH3O with F, Cl, Br, and I

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FEDERAL UNIVERSITY

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ENERGETICS OF SUBSTITUENT EFFECTS ON THE BENZENE RING: CH3O WITH F, CL, BR, AND I

Form of presentation

Articles in international journals and collections

Year of publication

2023

Authors, employees of KFU

Verevkin Sergey Petrovich, author

Ziganshin Marat Akhmedovich, author

Ibragimova Aliya Rinatovna, author

Italmasov Almaz Ravilevich, author

Kornilov Dmitriy Anatolevich, author

Nagrimanov Ruslan Nailevich, author

Solomonov Boris Nikolaevich, author

Authors, postgraduates KFU

Ibragimova Aliya Rinatovna, postgraduate kfu

Bibliographic description in the original language

Nagrimanov, R.N., Ibragimova, A.R., Italmasov, A.R., Kornilov D.A., Ziganshin M.A., Solomonov, B.N., Verevkin, S.P. Journal of Thermal Analysis and Calorimetrythis, 2023, 148(3), pp. 1087-1108

Annotation

Journal of Thermal Analysis and Calorimetrythis

Keywords

Vapour pressure, enthalpy of vaporisation, enthalpy of formation, structure-property relationships, quantum-chemical calculations, group-additivity

Place of publication

Netherlands

The name of the journal

Journal of Thermal Analysis and Calorimetrythis

Publishing house

Springer Netherlands

URL

https://doi.org/10.1007/s10973-022-11673-1

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=277577&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Verevkin Sergey Petrovich	ru_RU
dc.contributor.author	Ziganshin Marat Akhmedovich	ru_RU
dc.contributor.author	Ibragimova Aliya Rinatovna	ru_RU
dc.contributor.author	Italmasov Almaz Ravilevich	ru_RU
dc.contributor.author	Kornilov Dmitriy Anatolevich	ru_RU
dc.contributor.author	Nagrimanov Ruslan Nailevich	ru_RU
dc.contributor.author	Solomonov Boris Nikolaevich	ru_RU
dc.contributor.author	Ibragimova Aliya Rinatovna	ru_RU
dc.date.accessioned	2023-01-01T00:00:00Z	ru_RU
dc.date.available	2023-01-01T00:00:00Z	ru_RU
dc.date.issued	2023	ru_RU
dc.identifier.citation	Nagrimanov, R.N., Ibragimova, A.R., Italmasov, A.R., Kornilov D.A., Ziganshin M.A., Solomonov, B.N., Verevkin, S.P. Journal of Thermal Analysis and Calorimetrythis, 2023, 148(3), pp. 1087-1108	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=277577&p_lang=2	ru_RU
dc.description.abstract	Journal of Thermal Analysis and Calorimetrythis	ru_RU
dc.description.abstract	The temperature dependences of vapour pressures for some mono- and di-halogenated anisoles were established using the transpiration method. The solution calorimetry-based approach was used to determine the vaporization/sublimation enthalpies of chlorine- and iodine-substituted anisoles. The enthalpies of fusion of 2,3-di-chloro-anisole and 4-iodo-anisole were measured using differential scanning calorimetry. The literature thermochemical data for halogen-substituted anisoles (with halogen = F, Cl, Br, and I) and new results were evaluated using ?structure?property? correlations and quantum-chemical calculations. The G* quantum chemical methods were validated for reliable estimation of the enthalpies of formation of substituted for halogen-substituted anisoles in the gaseous state. The evaluated thermodynamic data were used for designing the ?centrepiece? method for assessment of enthalpies of vaporization and enthalpies of formation for halogen-substituted anisoles.	ru_RU
dc.language.iso	ru	ru_RU
dc.publisher	Springer Netherlands	ru_RU
dc.subject	Vapour pressure	ru_RU
dc.subject	enthalpy of vaporisation	ru_RU
dc.subject	enthalpy of formation	ru_RU
dc.subject	structure-property relationships	ru_RU
dc.subject	quantum-chemical calculations	ru_RU
dc.subject	group-additivity	ru_RU
dc.title	Energetics of substituent effects on the benzene ring: CH3O with F, Cl, Br, and I	ru_RU
dc.type	Articles in international journals and collections	ru_RU