Journal article

Publication year: 2022

Pages: 1874-1878

Journal: The Journal of Organic Chemistry

Volume number: 87

Issue number: 3

ISSN: 0022-3263

DOI Link: https://doi.org/10.1021/acs.joc.1c01813

Publisher: American Chemical Society

Abstract: 
We evaluate the use of the cohesive energy density (ced) as a quantitative descriptor for solvophobic effects in organic solvents by measuring Delta G(Z/E) of the rigid Z- and E-2,2 '-diethynyl-9,9 '-bifluorenylidene. In line with previously employed balances, solvent-dependent changes in Delta G(Z/E) are predominantly induced by solvophobic effects, leading to a strong correlation with the solvent's ced. We re-emphasize the role of ceds as quantitative descriptors of solvophobic effects of organic solvents. Our experimental findings are well supported by B3LYP-D3/def2TZVP computations.

Harvard Citation style: Wilming, F., Becker, J. and Schreiner, P. (2022) Quantifying Solvophobic Effects in Organic Solvents Using a Hydrocarbon Molecular Balance, The Journal of Organic Chemistry, 87(3), pp. 1874-1878. https://doi.org/10.1021/acs.joc.1c01813

APA Citation style: Wilming, F., Becker, J., & Schreiner, P. (2022). Quantifying Solvophobic Effects in Organic Solvents Using a Hydrocarbon Molecular Balance. The Journal of Organic Chemistry. 87(3), 1874-1878. https://doi.org/10.1021/acs.joc.1c01813