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B Values as a Sensitive Measure of Steric Effects |
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| Authors: | Renzo Ruzziconi Prof. Sara Spizzichino Lodovico Lunazzi Prof. Andrea Mazzanti Dr. Manfred Schlosser Prof. |
| Affiliation: | 1. Chemistry Department, University, Via Elce di Sotto 10 06100 Perugia (Italy);2. Organic Chemistry Department A. Mangini, University, Viale Risorgimento 4 40136 Bologna (Italy);3. Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale (EPFL ‐ BCh), 1015 Lausanne (Switzerland) |
| Abstract: | Someone who says “A” should be prepared to also say “B” : In contrast to cyclohexane model‐based A values, biphenyl model‐derived B values are powerful tools to quantify steric repulsion in and conformational behavior of ortho‐substituted aromatic compounds.  |
| Keywords: | biphenyls density functional calculations NMR spectroscopy steric effects |