High-pressure Raman study of liquid and molecular crystal at room temperature. Methylene chloride

Shimizu, Hiroyasu

doi:10.1016/0009-2614(84)85027-7

Cited by 15 publications

(8 citation statements)

References 9 publications

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“…At room temperature the spectrum of liquid dichloromethane can be observed even up to 2.8 GPa. This value is higher than previously reported pressure of freezing (1.1-1.4 GPa) [29][30][31], which indicates that in our room-temperature experiments we observed kinetic-driven stabilization of liquid CH 2 Cl 2 beyond its thermodynamic stability window. The spectrum of the solid obtained upon freezing is in accordance with that obtained in the previous Raman study [29].…”

Section: Raman Spectrum Of Dichloromethanecontrasting

confidence: 71%

“…This value is higher than previously reported pressure of freezing (1.1-1.4 GPa) [29][30][31], which indicates that in our room-temperature experiments we observed kinetic-driven stabilization of liquid CH 2 Cl 2 beyond its thermodynamic stability window. The spectrum of the solid obtained upon freezing is in accordance with that obtained in the previous Raman study [29]. Upon crystallization we observed splitting of the ν 4 (a 1 ) and the ν 9 (b 2 ) bands (Figure 3b).…”

Section: Raman Spectrum Of Dichloromethanecontrasting

confidence: 71%

“…Throughout the years considerable effort was made to study the effect of pressure on crystals containing tri-and dihalomethane molecules [18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37]. Most of this research was conducted in the group of prof. Hiroyasu Shimizu (Gifu University), prof. Anthony Anderson (University of Waterloo), and prof. Andrzej Katrusiak (Adam Mickiewicz University in Poznań).…”

Section: Introductionmentioning

confidence: 99%

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Phase Stability of Chloroform and Dichloromethane at High Pressure

2020

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Chloroform (CHCl3) and dichloromethane (CH2Cl2) are model systems for the study of intermolecular interactions, such as hydrogen bonds and halogen–halogen interactions. Here we report a joint computational (density-functional perturbation theory (DFPT) modelling) and experimental (Raman scattering) study on the behaviour of the crystals of these compounds up to a pressure of 32 GPa. Comparing the experimental information on the Raman band positions and intensities with the results of calculations enabled us to characterize the pressure-induced evolution of the crystal structure of both compounds. We find that the previously proposed P63 phase of CHCl3 is in fact a metastable structure, and that up to 32 GPa the ambient-pressure Pnma structure is the ground state polymorph of this compound. For CH2Cl2 we confirm the stability of the ambient-pressure Pbcn structure up to 32 GPa. We show that the high-pressure evolution of the crystal geometry of CHCl3 in the Pnma structure is a result of the subtle balance between dipole–dipole interactions, hydrogen bonds and Cl···Cl contacts. For CH2Cl2 (Pbcn structure) the dipole–dipole interactions and hydrogen bonds are the main factors influencing the pressure-induced changes in the geometry.

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Section: Raman Spectrum Of Dichloromethanecontrasting

confidence: 71%

Section: Raman Spectrum Of Dichloromethanecontrasting

confidence: 71%

Section: Introductionmentioning

confidence: 99%

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Phase Stability of Chloroform and Dichloromethane at High Pressure

2020

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“…This pressure was only slightly higher than the freezing pressure of 1.25 GPa which was estimated to be the average of both Bridgman's measurements (Bridgman, 1942(Bridgman, , 1949. The freezing pressure determined by Shimizu (1984) and Shimizu et al (1984) was even lower (1.13 GPa). The slight differences between these values may be due to the different temperatures of the measurements.…”

Section: Methodsmentioning

confidence: 62%

“…Dichloromethane is one of the simplest alkyl halides; it was shown by Raman (Shimizu, 1984) and FT IR (Shimizu et al, 1984) spectroscopies to undergo a phase transition at ca 4.5 GPa. Thus, it is a convenient compound for studying monotonic structural transformations and intermolecular halogenÁ Á Áhalogen interactions in molecular crystals below this pressure.…”

Section: Introductionmentioning

confidence: 99%

In situ high-pressure crystallization and compression of halogen contacts in dichloromethane

Podsiadło¹,

Dziubek²,

Katrusiak³

2005

Acta Crystallogr Sect B

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The structure of dichloromethane, CH2Cl2, crystallized in situ in a diamond-anvil cell, has been determined by single-crystal X-ray diffraction at 1.33 and 1.63 GPa. The pressure-frozen crystal was determined to be orthorhombic, with the space group Pbcn, and isostructural with the low-temperature phase at 0.1 MPa. The CH2Cl2 molecules are located on one set of crystallographic twofold axes. The characteristics determined for the CH2Cl2 crystal (compression of the close intermolecular contacts, molecular association and the crystal habit of dichloromethane) suggest that the crystal cohesion forces are dominated by H...Cl interactions rather than by Cl...Cl attractions.

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