Vibrational spectra and phase transitions in Ni(CH3COO)24X2O (X = H, D)

Raghuvanshi, G.S.; Pal, Mahendra; Patel, Monal; Bist, H. D.

doi:10.1016/0022-2860(83)85040-6

Cited by 20 publications

(5 citation statements)

References 16 publications

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“…Table gives a detailed description of the Raman bands and their vibrational assignments for three states of sodium and magnesium acetate. There has been a lot of spectroscopy research on the interaction between the −COO - group and metal ions ,− as well as water molecules . The ν 3 mode was strong and polarized in the Raman spectra and the most sensitive band to the microenvironments of the −COO - group, even though it was very close to the −CH 3 deformation modes (ν 9 and ν 13 ) in the region of 1400−1500 cm -1 .…”

Section: Resultsmentioning

confidence: 99%

Raman Spectroscopic Studies on Single Supersaturated Droplets of Sodium and Magnesium Acetate

2005

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Raman spectroscopy was used to study structural changes, in particular, the formation of contact-ion pairs in supersaturated aqueous NaCH(3)COO and Mg(CH(3)COO)(2) droplets at ambient temperatures. The single droplets levitated in an electrodynamic balance (EDB), lost water, and became supersaturated when the relative humidity (RH) decreased. For NaCH(3)COO droplet the water-to-solute molar ratio (WSR) was 3.87 without solidification when water molecules were not enough to fill in the first hydration layer of Na(+), in favor of the formation of contact-ion pairs. However, the symmetric stretching vibration band (nu(3) mode) of free -COO(-) constantly appeared at 1416 cm(-1), and no spectroscopic information related to monodentate, bidentate, or bridge bidentate contact-ion pairs was observed due to the weak interactions between the Na(+) and acetate ion. On the other hand, the band of methyl deformation blue shifted from 1352 to 1370 cm(-1) (at RH = 34.2%, WSR = 2.43), corresponding to the solidification process of a novel metastable phase in the highly supersaturated solutions. With further decreasing RH, a small amount of supersaturated solution still existed and was proposed to be hermetically covered by the metastable phase of the particle. In contrast, the interaction between Mg(2+) and acetate ion is much stronger. When WSR decreased from 21.67 to 2.58 for the Mg(CH(3)COO)(2) droplet, the band of C-C-symmetric stretching (nu(4) mode) had a blue shift from 936 to 947 cm(-1). The intensity of the two new shoulders (approximately 1456 and approximately 1443 cm(-1)) of the nu(3) band of free -COO(-) at 1420 cm(-1) increased with the decrease of WSR. These changes were attributed to the formation of contact-ion pairs with bidentate structures. In particular, the small frequency difference between the shoulder at approximately 1443 cm(-1) and the nu(3) band of the free -COO(-) group (approximately 1420 cm(-1)) was proposed to be related to the formation of a chain structure based on the contact-ion pairs of bridge bidentate. The continuous formation of various contact-ion pairs started at higher WSR value (WSR = 15.5) greatly reduced the hygroscopic properties of Mg(CH(3)COO)(2) droplet, so that the WSR of Mg(CH(3)COO)(2) droplets was even lower than that of NaCH(3)COO in the RH range of 40-60%.

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Section: Resultsmentioning

confidence: 99%

Raman Spectroscopic Studies on Single Supersaturated Droplets of Sodium and Magnesium Acetate

2005

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“…The vibrational spectroscopy of acetates in both aqueous media and solid state have been comprehensively studied over a long period of time [1][2][3][4]. Though one of the major difficulties associated with studying the spectroscopy of acetates is the large amount of variation in the reported literature [5].…”

Section: Introductionmentioning

confidence: 99%

A spectroscopic study of the mineral paceite (calcium acetate)

Musumeci

Frost

Waclawik

2007

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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A comprehensive spectroscopic analysis consisting of Raman, infrared (IR) and near infrared (NIR) spectroscopy was undertaken on two forms of calcium acetate with differing degrees of hydration. A monohydrate (Ca(CH 3 COO) 2 .H 2 O) and half-hydrate (Ca(CH 3 COO) 2 .0.5H 2 O) species were analysed. Assignments of vibrational bands due to the acetate anion have been made in all three forms of spectroscopy. Thermal analysis of the mineral was undertaken to follow its decomposition under a nitrogen atmosphere. Three major mass loss steps at ~120, 400 and 600 °C were revealed. These mass losses correspond very well to firstly, the loss of co-ordinated water molecules, and then the loss of water from the acetate anion, followed by finally the loss of carbon dioxide from the carbonate mineral to form a stable calcium oxide.

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“…The band located at 1614 nm may be assigned to OH stretching vibration of first hydration layer of hydration water [80][81][82]. The band 1625 nm is close in location to bands that can be attributed to OH stretching vibration of interlayer water molecules bound to ions (1629 nm) [83] and OH stretching of hydration water (1628 nm) [84].…”

Section: Soft Modeling Of Class Analogies (Simca) -Discriminating Ana...mentioning

confidence: 77%

Aquaphotomics Investigation of Electrolyzed Hydrogen Water: Understanding the Water Molecular Structure and Its Role in Scavenging Reactive Oxygen Species

Muncan,

Tsenkova,

Kabayama

et al. 2024

Preprint

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Reactive oxygen species (ROS) play a pivotal role in cellular function, and their overproduction contributes to oxidative stress, fatigue, aging, and diseases. To counteract these effects, incorpo-rating antioxidant-rich nutrients is recommended. Functional waters, including electrolyzed hydrogen water (EHW), are gaining attention for potential antioxidant effects through daily in-take. This study employs aquaphotomics and near-infrared spectroscopy (NIRS) to elucidate the molecular mechanisms behind the antioxidant activity of EHW. Previous investigation reported a 100% loss in antioxidant functionality through autoclaving, and a 40% decrease with hydrogen gas removal, prompting the current investigation into the mechanisms of antioxidant effects and especially the role of water molecular structure in it. Aquaphotomics analysis of near infrared (NIR) spectral data revealed that the primary characteristic of EHW associated with anti-radical function is presence of water solvation shells. Autoclaving and degassing led to loss of these water molecular species and a significant increase in free water molecules. The study suggests that water shells (solvation shells) in EHW play a crucial role in neutralizing ROS, although the specific ions or nanoparticles responsible for creating these shells remain unidentified. This concept aligns well with existing proposals of the crucial role of water solvation shells in ROS neutralization.

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Vibrational spectra and phase transitions in Ni(CH3COO)24X2O (X = H, D)

Cited by 20 publications

References 16 publications

Raman Spectroscopic Studies on Single Supersaturated Droplets of Sodium and Magnesium Acetate

Raman Spectroscopic Studies on Single Supersaturated Droplets of Sodium and Magnesium Acetate

A spectroscopic study of the mineral paceite (calcium acetate)

Aquaphotomics Investigation of Electrolyzed Hydrogen Water: Understanding the Water Molecular Structure and Its Role in Scavenging Reactive Oxygen Species

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