Stepwise dissociation of ion pairs by water molecules: cation-dependent separation mechanisms between carboxylate and alkali-earth metal ions

Abstract

Microhydration of ion pairs provides a detailed picture of ion dissociation. Such a combined experimental and theoretical study revealed the dissociation mechanisms of carboxylate paired with either calcium or barium...

Stepwise hydration of [CH3COOMg]+ studied by cold ion trap infrared spectroscopy: insights into interactions in the magnesium channel selection filters

“…Among the minor changes in this series, the general blue shift of v cooÀ as results from the motion away from the cation in full contact, induced by hydration by an increasing number of water molecules as already observed in the case of Ca 2+ . 31,32 The blue shift of d HOH between n = 6 and n = 9 suggests the formation of the second hydrated shell from the analogy to the infrared spectra of [CD 3 CD 2 COOCa] + (H 2 O) n (n r 12), 31 in which the ion pair COO À Á Á ÁCa 2+ keeps the full contact structure. From these infrared spectra, we conclude that Mg 2+ is in full contact with COO À in [CH 3 COOMg] + (H 2 O) 6 , and thus that the solvent-separated ion pair (see Fig.…”

Intermolecular noncovalent interactions with carbon in solution

“…It faithfully reproduces the experimental spectra and has recently been practiced by several researchers. 52–55 The geometrical analysis of the PNO:DMTCCP complex (Fig. 3a) revealed that two (O⋯C 4/10 ) of the four d O⋯C and ∠O⋯CN are 293 pm and 107°, respectively, whereas the other two (O⋯C 6/8 ) d O⋯C and ∠O⋯CN are 312 pm and 114°, respectively.…”

“…It faithfully reproduces the experimental spectra and has recently been practiced by several researchers. [52][53][54][55] The geometrical analysis of the PNO:DMTCCP complex (Fig. 3a C^N are 312 pm and 114°, respectively.…”

“…It faithfully reproduces the experimental spectra and has recently been practiced by several researchers. [52][53][54][55] The geometrical analysis of the PNO:DMTCCP complex (Figure 3a , respectively. We also found that the ∠C-C≡N in DMTCCP deviates from linearity (180°→177°) in the complex.…”

Do Stereochemical Effects Overcome a Charge-Induced Perturbation in Isolated Protonated Cyclo(Tyr-Tyr)?

“…The H 2 -tagged ions were irradiated in the cold trap with a tunable IR laser (LaserVision: OPO/OPA). Hydrogen molecules were detached from the cluster ions when the wavenumber of the IR laser was resonant with a vibrational transition of the cluster ions. , The photofragments were extracted linearly and detected by linear TOF-MS. The photofragment ion signals from a dynode converter detector of TOF-MS were amplified 10 times using a preamplifier and recorded on a fast digitizer.…”