2023
DOI: 10.1002/chem.202302278
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Cover Feature: CH3CN@open‐C60: An Effective Inner‐Space Modification and Isotope Effect Inside a Nano‐Sized Flask (Chem. Eur. J. 47/2023)

Abstract: A polar CH3CN molecule has been encapsulated inside an open‐cage C60 derivative under high pressure. The inserted CH3CN molecule has an impressive effect on the outer carbon cage, as shown by the enhanced polarity and decreased LUMO level. Crystallographic and computational analyses revealed that these changes were governed by the existence of the CH3CN and cage deformation caused by the insertion. Moreover, the favored binding affinity of CD3CN compared with CH3CN was affirmed. More information can be found i… Show more

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“…[13] Then, we demonstrated that 1 can encapsulate a large polar molecule, i. e., CH 3 CN, which results in an enhanced polarity of the molecular complex relative to the empty cage. [14] Though the reactivity of 1 is currently less studied, phosphorous-functionalization was found to proceed as in the case of the related open-cage C 60 derivatives (Figure 1). [13,15] In this work, we show the construction of a double stopper on 1 through a selective double reduction, revealing a kinetic stabilization of encapsulated Ar and N 2 .…”
Section: Introductionmentioning
confidence: 99%
See 1 more Smart Citation
“…[13] Then, we demonstrated that 1 can encapsulate a large polar molecule, i. e., CH 3 CN, which results in an enhanced polarity of the molecular complex relative to the empty cage. [14] Though the reactivity of 1 is currently less studied, phosphorous-functionalization was found to proceed as in the case of the related open-cage C 60 derivatives (Figure 1). [13,15] In this work, we show the construction of a double stopper on 1 through a selective double reduction, revealing a kinetic stabilization of encapsulated Ar and N 2 .…”
Section: Introductionmentioning
confidence: 99%
“…Recently, we developed a stepwise synthesis of 1 by a reaction with sulphur in the presence of a single‐electron reductant [13] . Then, we demonstrated that 1 can encapsulate a large polar molecule, i. e., CH 3 CN, which results in an enhanced polarity of the molecular complex relative to the empty cage [14] . Though the reactivity of 1 is currently less studied, phosphorous‐functionalization was found to proceed as in the case of the related open‐cage C 60 derivatives (Figure 1).…”
Section: Introductionmentioning
confidence: 99%