High pressure phase transformations in Bis(glycinium)oxalate – An infrared absorption study

Bhatt, Himal; Murli, Chitra; Garg, Nandini; Deo, M. N.; Читра, Р.; Choudhury, Rajul Ranjan; Sharma, Surinder M.

doi:10.1016/j.cplett.2012.02.060

Cited by 22 publications

(15 citation statements)

References 45 publications

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“…Though, there have been efforts to study the dynamical behavior of O-H---O bond configuration in carboxylic acid complexes [6,8], hydrogen halides [10], salt waters [11] and oxyhydroxide minerals [7] under pressure, only in water ice, strong evidences of hydrogen bond symmetrization exist. Alternatively, the strong hydrogen bonded systems such as amino acid-oxalic acid complexes provide unique opportunity to study proton dynamics near the symmetrization limit due to their extreme sensitivity to hydrogen bond tunability under pressure [12]. The underlying mechanism of proton dynamics in these complexes can be used to understand proton transfer pathways in protein environments and molecular theories of ionic systems at extreme conditions [13].…”

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confidence: 99%

Hydrogen Bond Symmetrization in Glycinium Oxalate under Pressure

et al. 2016

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The study of hydrogen bonds near symmetrization limit at high pressures is of importance to understand proton dynamics in complex bio-geological processes. We report here the evidence of hydrogen bond symmetrization in the simplest amino acid-carboxylic acid complex, glycinium oxalate, at moderate pressures of 8 GPa using in-situ infrared and Raman spectroscopic investigations combined with first-principles simulations. The dynamic proton sharing between semioxalate units results in covalent-like infinite oxalate chains. At pressures above 12 GPa, the glycine units systematically reorient with pressure to form hydrogen-bonded supramolecular assemblies held together by these chains.

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Hydrogen Bond Symmetrization in Glycinium Oxalate under Pressure

et al. 2016

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“…55). With the help of hyperion microscope the IR beam from the Globar source could be easily focused onto the sample in the diamond anvil cell and the data was collected with the help of the FTS spectrometer.…”

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confidence: 99%

High Pressure:One of the many Tools to Study Material Properties at Extreme Conditions

Garg¹

2017

Current Science

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High pressure is a powerful and clean variable, which when applied can bring about large changes in structure and properties of materials. It can be used to simulate the conditions found deep inside the earth or in different planetary interiors. It is widely used in chemical industry, especially when the chemical reaction products have lower volumes than the initial reactants, and also in the food preservation industry, where it ensures that aromas and flavours are not lost even after preservation. Materials under pressure can be studied both theoretically and experimentally. In this article apart from discussing how to set up a basic high pressure experiment using the DAC, some examples have been elaborated to show how both experiments and theory complement each other and both put together can help in a deeper understanding of the changes brought about by application of high pressure.

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“…This is because unlike chemical, [15][16][17][18] and radiationinitiated [19][20][21][22] routes to polymerization, hydrostatic pressure needs no initiating catalyst and can yield pure a polymer phase. 8,[23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39][40][41] Acrylamide (H 2 C=CHCONH 2 ), in its polymeric form, finds extensive use in industry as well as the laboratory. [42][43][44][45] In the gaseous monomeric state, s-cis acrylamide is more stable than the s-trans conformer.…”

Section: Introductionmentioning

confidence: 99%

Pressure Induced Topochemical Polymerizationof Solid Acryalmide Facilitated by Anisotropic Response of Hydrogen Bond Network

Maiti¹,

Gangan²,

Anshu³

et al. 2020

Preprint

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The pressure induced polymerization of molecular solids is an appealing route to obtain pure, crystalline polymers without the need for radical initiators. Here, we report a detailed density functional theory (DFT) based study of the structural and chemical changes that occur in defect free solid acrylamide, a hydrogen bonded crystal, when it is subjected to hydrostatic pressures. Our calculations predict a polymerization pressure of 94 GPa, in contrast to experimental estimates of 17 GPa, while being able to reproduce the experimentally measured pressure dependent spectroscopic features. Interestingly, we find that the two-dimensional hydrogen bond network templates a topochemical polymerization by aligning the atoms through an anisotropic response at low pressures. This results not only in conventional C-C, but also unusual C-O polymeric linkages, as well as a new hydrogen bonded framework, with both NH... O and C-H...O bonds.

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High pressure phase transformations in Bis(glycinium)oxalate – An infrared absorption study

Cited by 22 publications

References 45 publications

Hydrogen Bond Symmetrization in Glycinium Oxalate under Pressure

Hydrogen Bond Symmetrization in Glycinium Oxalate under Pressure

High Pressure:One of the many Tools to Study Material Properties at Extreme Conditions

Pressure Induced Topochemical Polymerizationof Solid Acryalmide Facilitated by Anisotropic Response of Hydrogen Bond Network

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