Methanol solvation of the Ag+ ion probed with infrared photodissociation spectroscopy of Ag+(CH3OH)  (n= 1–5)

Furukawa, Kuniyuki; Ohashi, Kazuhiko; Imamura, Toshitaka; Sasaki, Jun; Judai, Ken; Nishi, Nobuyuki; Sekiya, Hiroshi

doi:10.1016/j.cplett.2010.06.043

Cited by 4 publications

(3 citation statements)

References 23 publications

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“…As a model of ion solvation, the structures of methanolated ions have been extensively studied both for cations and anions. [107][108][109][110][111][112][113][114][115][116][117][118][119][120] In the 1st solvation shell, several methanol molecules independently solvate the central ion. However, the solvation motifs are different for anions and cations.…”

Section: This Journal Is © the Owner Societies 2018mentioning

confidence: 99%

“…[107][108][109][110][111][112] On the other hand, the lone pair of methanol is attached to the cation, and methanol acts like an A site. [113][114][115][116][117][118][119][120] The main focus of these studies, however, is the determination of the coordination number of the ion, which can be evaluated by the cluster size at the appearance of the 2nd solvation shell. Therefore, solvation structures (H-bond networks) after completion of the 1st shell have been rarely discussed.…”

Section: This Journal Is © the Owner Societies 2018mentioning

confidence: 99%

“…[52][53][54][55][56]69,70 Comparison between the H-bond networks of protonated methanol and methanolated ions, which have been extensively studied, is also of great interest. [107][108][109][110][111][112][113][114][115][116][117][118][119][120] The most fundamental factor in a molecular cluster is its size. With increasing cluster size, more complicated intermolecular structures can be formed.…”

Section: Introductionmentioning

confidence: 99%

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Hydrogen bond network structures of protonated short-chain alcohol clusters

Fujii

Sugawara

Hsu

et al. 2018

Phys. Chem. Chem. Phys.

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Because of the hydrogen bond coordination properties of alcohols, their possible hydrogen bond network structures are categorized into only a few types. Therefore, gas phase clusters of alcohols can be a very simple model system to examine the properties of hydrogen bond networks, such as structural development with cluster size and temperature dependence. In this perspective, we focus on the structural study of protonated short-chain alcohol clusters, whose excess protons (charge) enable size-selective spectroscopy in combination with mass spectrometric techniques. Size-selective infrared spectroscopy and a theoretical multi-scale isomer search were applied to protonated clusters of methanol, which is a prototype of short-chain alcohols, and their hydrogen bond network development is elucidated in detail. Complete isomer population switching with increasing temperature was predicted by the quantum harmonic superposition approximation and this isomer switching was evidenced by the remarkable temperature (internal vibrational energy) dependence of the observed infrared spectra. The characteristics of the temperature dependence of protonated methanol were compared with those of water and neutral methanol. In addition, possible hydrogen bond networks of methanolated ions were discussed on the basis of the results for protonated methanol. Stepwise changes in the internal energy of clusters with inert gas tagging are demonstrated. Convergence of the hydrogen bond network to the bulk-like network in large clusters is also discussed. The hydrogen bond structures of the protonated clusters of longer normal alkyl chain alcohols (ethanol, 1-propanol, 1-butanol, and 1-pentanol) are determined by comparison of their infrared spectra with those of the protonated methanol clusters. It is demonstrated that the normal alkyl chain interferes only slightly with the most stable hydrogen bond structure, although a few exceptional cases were also found. These exception cases serve as good model systems for further theoretical and computational studies.

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Section: This Journal Is © the Owner Societies 2018mentioning

confidence: 99%

Section: This Journal Is © the Owner Societies 2018mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Hydrogen bond network structures of protonated short-chain alcohol clusters

Fujii

Sugawara

Hsu

et al. 2018

Phys. Chem. Chem. Phys.

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Photoinduced charge transfer in the Zn-methanol cation studied with selected-ion photofragment imaging

Rittgers

Marks

Kellar

et al. 2022

The Journal of Chemical Physics

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The Zn+(methanol) ion molecule complex produced by laser vaporization is studied with photofragment imaging at 280 and 266 nm. Photodissociation produces the methanol cation CH3OH+ via excitation of a charge-transfer excited state. Surprisingly, excitation of bound excited states produces the same fragment via a curve crossing prior to separation of products. Significant kinetic energy release is detected at both wavelengths with isotropic angular distributions. Similar experiments are conducted on the perdeuterated methanol complex. The Zn+ cation is a minor product channel that also exhibits significant kinetic energy release. An energetic cycle using the ionization potentials of zinc and methanol together with the kinetic energy release produces an upper limit on the Zn+-methanol bond energy of 33.7 {plus minus} 4.2 kcal/mol (1.46 {plus minus} 0.18 eV).

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Photoelectron Imaging of AgOCH3− and Ag−(CH3OH)x(x= 1, 2)

Chi

Xie

Cong

et al. 2011

Chinese Journal of Chemical Physics

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The AgOCH3− and Ag−(CH3OH)x (x = 1, 2) anions are studied by photoelectron imaging as well as ab initio calculations. The adiabatic and vertical detachment energies (ADE and VDE) of AgOCH3− are determined as 1.29(2) and 1.34(2) eV, respectively, from the vibrational resolved photoelectron spectrum. The Ag−(CH3OH)1,2 anionic complexes are characterized as metal atomic anion solvated by the CH3OH molecules with the electron mainly localized on the metal. The photoelectron spectra of Ag−(CH3OH)x(x = 0, 1, 2) show a gradual increase in VDE with increasing x, due to the solvent stabilization. Evidence for the methanol-methanol hydrogen bonding interactions appears when the Ag− is solvated by two methanol molecules.

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Methanol solvation of the Ag+ ion probed with infrared photodissociation spectroscopy of Ag+(CH3OH) (n= 1–5)

Cited by 4 publications

References 23 publications

Hydrogen bond network structures of protonated short-chain alcohol clusters

Hydrogen bond network structures of protonated short-chain alcohol clusters

Photoinduced charge transfer in the Zn-methanol cation studied with selected-ion photofragment imaging

Photoelectron Imaging of AgOCH3− and Ag−(CH3OH)x(x= 1, 2)

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