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• W2045754884 abstract "The hydration energy of an ion largely resides within the first few layers of water molecules in its hydration shell. Hence, it is important to understand the transformation of water properties, such as hydrogen-bonding, intermolecular vibrational coupling, and librational freedom in the hydration shell of ions. We investigated these properties in the hydration shell of mono- (Cl− and I−) and bivalent (SO42− and CO32−) anions by using Raman multivariate curve resolution (Raman-MCR) spectroscopy in the OH stretch, HOH bend, and [bend+librational] combination bands of water. Raman-MCR of aqueous Na-salt (NaCl, NaI, Na2SO4, and Na2CO3) solutions provides ion-correlated spectra (IC-spectrum) which predominantly bear the vibrational characteristics of water in the hydration shell of respective anions. Comparison of these IC-spectra with the Raman spectrum of bulk water in different spectral regions reveals that the water is vibrationally decoupled with its neighbors in the hydration shell. Hydrogen-bond strength and librational freedom also vary with the nature of anion: hydrogen-bond strength, for example, decreases as CO32− &gt; SO42− &gt; bulk water ≈ Cl− &gt; I−; and the librational freedom increases as CO32− ≈ SO42− &lt; bulk water &lt; Cl− &lt; I−. It is believed that these structural perturbations influence the dynamics of coherent energy transfer and librational reorientation of water in the hydration shell of anions." @default.
• W2045754884 created "2016-06-24" @default.
• W2045754884 creator A5012913320 @default.
• W2045754884 creator A5054311775 @default.
• W2045754884 creator A5079669146 @default.
• W2045754884 creator A5080359797 @default.
• W2045754884 date "2014-10-28" @default.
• W2045754884 modified "2023-09-26" @default.
• W2045754884 title "On the intermolecular vibrational coupling, hydrogen bonding, and librational freedom of water in the hydration shell of mono- and bivalent anions" @default.
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• W2045754884 doi "https://doi.org/10.1063/1.4899070" @default.
• W2045754884 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25362333" @default.
• W2045754884 hasPublicationYear "2014" @default.
• W2045754884 type Work @default.

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