Berichtigung: Retarded Solid‐State Rotations of an Oval‐Shaped Guest in a Deformed Cylinder with CH–π Arrays

Angewandte Chemie(2023)

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摘要
The authors wish to correct some erroneous values found in their Communication. Incorrect values for Ka and thermodynamic parameters (ΔH, −TΔS and ΔG) along with erroneous concentration values mistakenly appeared in Figures 2 and 3 and also in Figures S1 and S7 in the Supporting Information. The correct values are as follows: For [4]CC⊃6: Ka=41 M−1, ΔH=−3.34 kcal mol−1, −TΔS=+1.15 kcal mol−1, ΔG=−2.20 kcal mol−1. ITC conditions for [4]CC⊃6: [4]CC=5.39×10−4 M, 6=7.35×10−1 M. For [4]CC⊃7: Ka=100 M−1. ITC conditions for [4]CC⊃7: [4]CC=2.07×10−4 M, 7=2.71×10−1 M. Accordingly, the correct versions of Figures 2 and 3 are shown below and a new Supporting Information file is provided. Representative hydrocarbon guests for the structure–association relationship studies. Association constants were obtained as an average value from triplicate titration experiments in CH2Cl2 at 298 K. See Figure S7 for the complete set with errors. Data of COR were taken from the literature.4 The circumferential lengths (L) were derived from calculated geometries (LC-BLYP/6-311G(d)) as follows. For COR, a weighted center of ten hydrogen atoms was defined to measure the radius. By using the radius, we calculated the L value for an ideal circle. For 1, the major and minor axes of the circumscribed oval were measured. By using the axis lengths, we calculated the L value for an ideal oval. Association thermodynamics. a) Experimental association parameters extracted from ITC analyses. Average values from triplicate titrations are shown with their standard deviations. b) The DFT structures and association energies of Me-[4]CC (ΔE) with 1, 6, and 7. Topological analyses of the electron density using the AIM method revealed the bond paths (orange) and (3,−1) BCP (blue), which confirmed the presence of CH−π hydrogen bonds. This correction does not alter any of the conclusions or discussion presented in the original Communication. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
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deformed cylinder
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