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Substituent effects on the solvent power of the haloolefin HCFO-1233 yd.(Z)

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Název: Substituent effects on the solvent power of the haloolefin HCFO-1233 yd.(Z)
Autoři: A. Fan, H. Zhou, D. Maksuta, R.J. Waltman
Zdroj: Results in Chemistry, Vol 16, Iss , Pp 102367- (2025)
Informace o vydavateli: Elsevier, 2025.
Rok vydání: 2025
Sbírka: LCC:Chemistry
Témata: Haloolefins, Green solvents, Green refrigerants, Substituent effect, Chemistry, QD1-999
Popis: The solvent power of the hydrochlorofluoroolefin HCFO-1233 yd.(Z) is investigated using electron-withdrawing and electron-donating substituents on the “parent” (Z)-1-X-2,3,3-trifluoropropene, where X = NH2, OH, CH3O, CH3, F, H, Cl, COOH, CF3, CN, and NO2. The magnitude of the partial atomic charge on the 1‑hydrogen atom correlates to the Hammett σ+ substituent constant. The intermolecular interaction between CH3OH and the 1‑hydrogen atom is strengthened by electron-withdrawing 1-substituents producing smaller hydrogen bond distances and larger interaction energies. This work develops a Hammett-based structure-property correlation model to quantify electronic “push–pull” effects in HFO and HCFO solvent systems, guiding HCFO solvent design optimization to enhance its compatibility with PFPE lubricant polarity for hard disk drive application.
Druh dokumentu: article
Popis souboru: electronic resource
Jazyk: English
ISSN: 2211-7156
Relation: http://www.sciencedirect.com/science/article/pii/S2211715625003509; https://doaj.org/toc/2211-7156
DOI: 10.1016/j.rechem.2025.102367
Přístupová URL adresa: https://doaj.org/article/873f7351fc7c487788b2ea9e128e3c2b
Přístupové číslo: edsdoj.873f7351fc7c487788b2ea9e128e3c2b
Databáze: Directory of Open Access Journals
Popis
Abstrakt:The solvent power of the hydrochlorofluoroolefin HCFO-1233 yd.(Z) is investigated using electron-withdrawing and electron-donating substituents on the “parent” (Z)-1-X-2,3,3-trifluoropropene, where X = NH2, OH, CH3O, CH3, F, H, Cl, COOH, CF3, CN, and NO2. The magnitude of the partial atomic charge on the 1‑hydrogen atom correlates to the Hammett σ+ substituent constant. The intermolecular interaction between CH3OH and the 1‑hydrogen atom is strengthened by electron-withdrawing 1-substituents producing smaller hydrogen bond distances and larger interaction energies. This work develops a Hammett-based structure-property correlation model to quantify electronic “push–pull” effects in HFO and HCFO solvent systems, guiding HCFO solvent design optimization to enhance its compatibility with PFPE lubricant polarity for hard disk drive application.
ISSN:22117156
DOI:10.1016/j.rechem.2025.102367