Stepwise hydration of the cyanide anion: a temperature-controlled photoelectron spectroscopy and ab initio computational study of CN-(H2O)n, n=2-5.
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Summary
The study of microsolvated CN(-)(H(2)O)(n) (n=1-5) clusters in the gas phase using a combination of experimental and computational approaches to establish the hydration motif of cyanide.
- Type
- article
- Published
- 2010-03-28
- Cited by
- 25
- References
- 70
- OpenAlex
- https://openalex.org/W2078154166
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:26126512
Keywords
Ab initio, Chemistry, Blueshift, X-ray photoelectron spectroscopy, Hydrogen bond
References
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- Advanced Inorganic Chemistry
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- A high-level ab initio study of the anionic hydrogen-bonded complexes FH-CN(-), FH-NC(-), H2O-CN(-), and H2O-NC(-)
- Dominant structural motifs of NO−⋅(H2O)n complexes: Infrared spectroscopic and ab initio studies
- Size selectivity by cation–π interactions: Solvation of K+ and Na+ by benzene and water
- Observation of entropic effect on conformation changes of complex systems under well-controlled temperature conditions.
- Infrared signatures of a water molecule attached to triatomic domains of molecular anions: Evolution of the H-bonding configuration with domain length
- Argon predissociation spectroscopy of the OH-.H2O and Cl-.H2O complexes in the 1000-1900 cm(-1) region: intramolecular bending transitions and the search for the shared-proton fundamental in the hydroxide monohydrate.
- Vibrational phase and energy relaxation of CN− in water
- Anion ordering in alkali cyanide crystals
- Photoelectron spectroscopy of cold hydrated sulfate clusters, SO4(2-)(H2O)n (n = 4-7): temperature-dependent isomer populations.
- Evidence for water rings in the hexahydrated sulfate dianion from IR spectroscopy.
- A New Determination of the Fluoride Ion−Water Bond Energy
- Vibrational spectral diffusion of CN− in water
- Hydrogen bonding in gas-phase anions. The energetics of interaction between cyanide ion and Broensted acids determined from ion cyclotron resonance cyanide exchange equilibria
- Electron solvation in finite systems: femtosecond dynamics of iodide. (Water)n anion clusters
- Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra
Cited by
- Perspective: Water cluster mediated atmospheric chemistry.
- Photodetachment of Isolated Bicarbonate Anion: Electron Binding Energy of HCO3(.).
- EMSL Quarterly Highlights Report Second Quarter, Fiscal Year 2010 (January 1, 2010 through March 31, 2010)
- Novel CX⋯π halogen bonds in complexes of acetylene and its derivatives of Na and MPH3 (M=Cu, Ag, Au) with XCCF (X=Cl, Br, I).
- Charge-transfer and the hydrogen bond: spectroscopic and structural implications from electronic structure calculations.
- Studies of femtosecond time-resolved photoelectron spectroscopy of Au3-(H2O)m clusters: Alteration of cluster relaxation dynamics of metal clusters by water molecules
- Exploiting the capabilities of quantum chemical simulations to characterise the hydration of molecular compounds
- Comparison of arsenic acid with phosphoric acid in the interaction with a water molecule and an alkali/alkaline-earth metal cation.
- Hydration of the cyanide ion: an ab initio quantum mechanical charge field molecular dynamics study.
- Studies on the structure, stability, and spectral signatures of hydride ion-water clusters.
- Communication: solute anisotropy effects in hydrated anion and neutral clusters.
- Simulated photoelectron spectra of the cyanide-water anion via quasiclassical molecular dynamics.
- NH4(+) Resides Inside the Water 20-mer Cage As Opposed to H3O(+), Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study.
- Decomposition of DNA Nucleobases by Laser Irradiation of Gold Nanoparticles Monitored by Surface-Enhanced Raman Scattering
- Update 1 of: strong ionic hydrogen bonds.
- Stepwise Internal Energy Change of Protonated Methanol Clusters By Using the Inert Gas Tagging.
- Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy.
- Quantitative Temperature Dependence of the Microscopic Hydration Structures Investigated by Ultraviolet Photodissociation Spectroscopy of Hydrated Phenol Cations.
- Isolating the Isomeric Hydrogen Bonding Signatures of the Cyanide-Water Complex by Cryogenic Ion Trap Vibrational Spectroscopy.
- Hydrogen bond network structures of protonated short-chain alcohol clusters.
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