Figure 7
From: Cryogenic ion mobility-mass spectrometry for the study of conformations of host-guest complexes
(a) The observed ATD of K+(DB24C8) at 300 K (open circles) and a fitted Gaussian function (black curve). (b) The simulated ATD of K+(DB24C8) by using relative abundances and CCSs of closed and open conformers at 300 K without isomerization. The ATD (black curve) is a sum of Gaussian functions (red and blue curves) whose areas depend on the abundances of the conformers. (c) The simulated ATD of K+(DB24C8) with the averaged CCS (135.1 Å2) for the expected conformers in the Boltzmann distribution at 300 K, under the assumption of the rapid isomerization reactions. The width of the ATD is determined from the mobility resolution of the apparatus at 300 K (\(R = 24\))