The influence of pressure on the infrared spectra of hydrogen-bonded solids. IV. Miscellaneous compounds

Hamann, S. D.; Linton, Max

doi:10.1071/ch9761825

Cited by 30 publications

(31 citation statements)

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“…For the ν(OH) mode in Figure 10(d), its linear blueshifts from ambient pressure to 10.3 GPa reflects that hydrogen bonds in SST are strong, and continue to be strengthened with increasing pressure. 48 However, the ν(OH) mode disappears at 10.3 GPa and cannot be detected in higher pressure region. This indicates that across the phase transition, water molecules in SST have changed into disordered states.…”

Section: Resultsmentioning

confidence: 97%

Compression studies of face-to-face π-stacking interaction in sodium squarate salts: Na2C4O4 and Na2C4O4•3H2O

Wang

et al. 2012

The Journal of Chemical Physics

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High-pressure Raman scattering and synchrotron X-ray diffraction measurements of sodium squarate (Na(2)C(4)O(4), SS) are performed in a diamond anvil cell. SS possesses a rare, but typical structure, which can show the effect of face-to-face π-stacking without interference of other interactions. At ~11 GPa, it undergoes a phase transition, identified as a symmetry transformation from P2(1)/c to P2(1). From high-pressure Raman patterns and the calculated model of SS, it can be proved that the phase transition results from the distorted squarate rings. We infer it is the enhancement of π-stacking that dominates the distortion. For comparison, high-pressure Raman spectra of sodium squarate trihydrate (Na(2)C(4)O(4)●3H(2)O, SST) are also investigated. The structure of SST is determined by both face-to-face π-stacking and hydrogen bonding. SST can be regarded as a deformation of SS. A phase transition, with the similar mechanism as SS, is observed at ~10.3 GPa. Our results can be well supported by the previous high-pressure studies of ammonium squarate ((NH(4))(2)C(4)O(4), AS), and vice versa. High-pressure behaviors of the noncovalent interactions in SS, SST, and AS are compared to show the impacts of hydrogen bonding and the role of electrostatic interaction in releasing process.

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Section: Resultsmentioning

confidence: 97%

Compression studies of face-to-face π-stacking interaction in sodium squarate salts: Na2C4O4 and Na2C4O4•3H2O

Wang

et al. 2012

The Journal of Chemical Physics

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“…Several high-pressure studies on Pentaerythritol, C (CH 2 OH) 4 , (PET) have been reported (FROLOV et al [1962], , HAMANN and LINTON [1976] and KATRUSIAK [1995]). FROLOV et al [1962]) have measured, by X-ray powder diffraction, the unit-cell dimensions as a function of pressure up to 883 MPa.…”

Section: Introductionmentioning

confidence: 99%

“…The discontinuities observed in the compression of the lattice constants a and c between 410 and 550 MPa have been interpreted as due to a first order phase transition in that pressure range. The pressure-induced phase transition seemed confirmed by the pressure dependence of the electrical conduction of PET by ZHORIN et al [1962] and its IR spectra by HAMANN and LINTON [1976]. KATRUSIAK [1995] has carried out high-pressure single-crystal X-ray diffraction studies on PET to obtain information regarding the pressure-induced phase transition of PET and to analyse the external and the internal strains of the crystal in relation to its structure.…”

Section: Introductionmentioning

confidence: 99%

Pressure Dependence of the Electromechanical and Vibrational Properties of Pentaerythritol

Ramamoorthy

Rajaram

Krishnamurthy

2001

Cryst. Res. Technol.

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“….H δ− distance. So, if there is any dihydrogen bonding in the material, the N-H stretching should exhibit redshift with pressure (25)(26)(27)30) with some exceptions that have very strong symmetric dihydrogen bonding (39)(40)(41)(42)(43)(44)(45)(46). As shown in Fig.…”

Section: −δmentioning

confidence: 99%

High-pressure study of lithium amidoborane using Raman spectroscopy and insight into dihydrogen bonding absence

Najiba

Chen

2012

Proc. Natl. Acad. Sci. U.S.A.

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One of the major obstacles to the use of hydrogen as an energy carrier is the lack of proper hydrogen storage material. Lithium amidoborane has attracted significant attention as hydrogen storage material. It releases ∼10.9 wt% hydrogen, which is beyond the Department of Energy target, at remarkably low temperature (∼90°C) without borazine emission. It is essential to study the bonding behavior of this potential material to improve its dehydrogenation behavior further and also to make rehydrogenation possible. We have studied the high-pressure behavior of lithium amidoborane in a diamond anvil cell using in situ Raman spectroscopy. We have discovered that there is no dihydrogen bonding in this material, as the N-H stretching modes do not show redshift with pressure. The absence of the dihydrogen bonding in this material is an interesting phenomenon, as the dihydrogen bonding is the dominant bonding feature in its parent compound ammonia borane. This observation may provide guidance to the improvement of the hydrogen storage properties of this potential material and to design new material for hydrogen storage application. Also two phase transitions were found at high pressure at 3.9 and 12.7 GPa, which are characterized by sequential changes of Raman modes.H ydrogen economy has been considered as potentially efficient and environmental friendly alternative energy solution (1). However, one of the most important scientific and technical challenges facing the "hydrogen economy" is the development of safe and economically viable on-board hydrogen storage for fuel cell applications, especially to the transportation sector. Ammonia borane (BH 3 NH 3 ), a solid state hydrogen storage material, possesses exceptionally high hydrogen content (19.6 wt%) and in particular, it contains a unique combination of protonic and hydridic hydrogen, and on this basis, offers new opportunities for developing a practical source for generating molecular dihydrogen (2-5). Stepwise release of H 2 takes place through thermolysis of ammonia borane, yielding one-third of its total hydrogen content (6.5 wt%) in each heating step, along with emission of toxic borazine (6-8). Recently, research interests are focusing on how to improve discharge of H 2 from ammonia borane, including lowering the dehydrogenation temperature and enhancing hydrogen release rate using different techniques, e.g., nanoscaffolds (9), ionic liquids (10), acid catalysis (11), base metal catalyst (12), or transition metal catalysts (13, 14). More recently, significant attention is given to chemical modification of ammonia borane through substitution of one of the protonic hydrogen atoms with an alkali or alkaline-earth element (15-21). Lithium amidoborane (LiNH 2 BH 3 ) has been successfully synthesized by ball milling LiH with NH 3 BH 3 (15-18). One of the driving forces suggested for the formation of LiNH 2 BH 3 is the chemical potential of the protonic H δ+ in NH 3 and the hydridic H δ− in alkali metal hydrides making them tend to combine, producing H 2 + LiNH 2 BH 3 ....

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The influence of pressure on the infrared spectra of hydrogen-bonded solids. IV. Miscellaneous compounds

Cited by 30 publications

References 0 publications

Compression studies of face-to-face π-stacking interaction in sodium squarate salts: Na2C4O4 and Na2C4O4•3H2O

Compression studies of face-to-face π-stacking interaction in sodium squarate salts: Na2C4O4 and Na2C4O4•3H2O

Pressure Dependence of the Electromechanical and Vibrational Properties of Pentaerythritol

High-pressure study of lithium amidoborane using Raman spectroscopy and insight into dihydrogen bonding absence

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