Multicomponent Crystals with Two Fast Reorienting Constituents: Mutually Affected Rotation of DABCO and THF

16 March 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


Here we report two new multicomponent supramolecular rotors (1 and 2) based on 2,7-diphenyl-9H-carbazole stators and two rotators brought together by a non-innocent C-HO interaction. This hydrogen bond serves a dual function: it constitutes the rotational axis for THF and acts as a ‘brake’ for the motion of DABCO. Dynamic characterization of 1 by VT 2H NMR experiments supports that DABCO rotates about its supramolecular axis with jumps of 120º (3-fold) and a krot >10 MHz at 300 K, but interestingly, this motion is reduced to 5 MHz at 150 K. Concurrently, the THF experiences an atypical motion on an axis that is perpendicular to that of DABCO, experiencing 180º jumps in the fast regime even at 175 K. 1H(T1) relaxometry studies show that DABCO has an Ea=3.5 kcal/mol, while for THF, an Ea=2.3 kcal/mol was computed by periodic DFT. Fast and organized mobility of two constituents within crystals is extremely infrequent and could have strong implications for future applications of multicomponent solids with regulated dynamics.


supramolecular rotors
multicomponent crystals
organic chemistry
molecular machines

Supplementary materials



Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.