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With CMB, baseline enantioseparations were achieved for nine analytes with separation factors (\n                    <jats:italic>\u03b1<\/jats:italic>\n                    ) ranging from 1.24 to 1.77, whereas only three analytes could be enantioseparated with 1.14 \u2264\n                    <jats:italic>\u03b1<\/jats:italic>\n                    \u2264 1.51 on a cellulose tris(3,5\u2010dimethylphenylcarbamate) (CDMPC)\u2010based column, used as a reference for comparison, under the same elution conditions. Pendant group\u2013dependent reversal of the enantiomer elution order was observed in several cases by changing CMB to CDMPC. The impact of analyte and chiral stationary phase (CSP) structure, and MP polarity on the enantioseparation, was evaluated. The two cellulose\u2010based CSPs featured by different pendant groups were also compared in terms of thermodynamics. For this purpose, enthalpy (\u0394\u0394\n                    <jats:italic>H<\/jats:italic>\n                    \u00b0), entropy (\u0394\u0394\n                    <jats:italic>S<\/jats:italic>\n                    \u00b0) and free energy (\u0394\u0394\n                    <jats:italic>G<\/jats:italic>\n                    \u00b0) differences, isoenantioselective temperatures (\n                    <jats:italic>T<\/jats:italic>\n                    <jats:sub>iso<\/jats:sub>\n                    ), and enthalpy\/entropy ratios (\n                    <jats:italic>Q<\/jats:italic>\n                    ), associated with the enantioseparations, were derived from van \u2019t Hoff plots by using\n                    <jats:italic>n<\/jats:italic>\n                    \u2010hexane\/2\u2010PrOH 95:5 v\/v and methanol\/water 90:10 v\/v as MPs. With the aim to disclose the functions of the different substituents in mechanisms and noncovalent interactions underlying analyte\u2013selector complex formation at molecular level, electrostatic potential (\n                    <jats:italic>V<\/jats:italic>\n                    ) analysis and molecular dynamics simulations were used as computational techniques. On this basis, enantioseparations and related mechanisms were investigated by integrating theoretical and experimental data.\n                  <\/jats:p>","DOI":"10.1002\/elps.202200205","type":"journal-article","created":{"date-parts":[[2022,9,30]],"date-time":"2022-09-30T03:29:30Z","timestamp":1664508570000},"page":"203-216","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["Enantioseparation of planar chiral ferrocenes on cellulose\u2010based chiral stationary phases: Benzoate versus carbamate pendant groups"],"prefix":"10.1002","volume":"44","author":[{"given":"Roberto","family":"Dallocchio","sequence":"first","affiliation":[{"name":"Enantioselective Chromatography and Molecular Recognition Unit Istituto di Chimica Biomolecolare (ICB) CNR  Sassari 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