Infrared spectra of β-hydroquinone–xenon crystal. H/D isotope and temperature effects

Selent, Marcin; Ilczyszyn, Marek; Baran, J.

doi:10.1016/j.vibspec.2010.09.005

Cited by 6 publications

(27 citation statements)

References 13 publications

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“…It is logical to observe some similarity between the two spectra, as the same covalent bonds exist in both phases (i.e., α- and β-HQ) . Nevertheless, some characteristic differences are observed between the Raman spectra of the α-HQ and the CO 2 –HQ clathrate.…”

Section: Resultsmentioning

confidence: 99%

“…It is logical to observe some similarity between the two spectra, as the same covalent bonds exist in both phases (i.e., αand β-HQ). 34 Nevertheless, some characteristic differences are observed between the Raman spectra of the α-HQ and the ) in the spectra of the CO 2 −HQ clathrate. 32,36 In the IR spectra, Figure 4, the characteristic bands of α-HQ are at first sight invariant in the CO 2 −HQ clathrate, but there are minor differences between the spectra, such as some changes in relative intensities of the bands close to 1350 and 1600 cm −1 , due to three nonequivalent HQ molecules in the asymmetric unit cell of the α-form.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…It is logical to observe some similarity between the two spectra, as the same covalent bonds exist in both phases (i.e., αand β-HQ). 34 Nevertheless, some characteristic differences are observed between the Raman spectra of the α-HQ and the CO 2 −HQ clathrate. We have noticed that the C−H stretching band, at 3080 cm −1 in α-HQ, is absent in the CO 2 −HQ clathrate form, in good agreement with the calculations of Kubinyi et al 32 In addition, the bands close to 480 and 850 cm −1 , and the group of three bands at 1599, 1610, and 1623 cm −1 , attributed to C−C stretching modes of the HQ molecules, show clear variation in relative band intensities between the two forms.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

See 2 more Smart Citations

CO₂–Hydroquinone Clathrate: Synthesis, Purification, Characterization and Crystal Structure

Torré

Coupan

Chabod

et al. 2016

Crystal Growth & Design

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Organic clathrate compounds, particularly those formed between hydroquinone (HQ) and gases, are supramolecular entities recently highlighted as promising alternatives for applications such as gas storage and separation processes. This study provides new insights into CO 2 −HQ clathrate, which is a key structure in some of the proposed future applications of these compounds. We present a novel synthesis and purification of CO 2 −HQ clathrate monocrystals. Clathrate crystals obtained from a single synthesis and native HQ are characterized and compared using Raman/Fourier transform infrared/NMR spectroscopies, optical microscopy, and thermogravimetric analysis coupled to mass spectrometry. The molecular structure of the clathrate has been resolved by X-ray diffraction analysis, and detailed crystallographic information is presented for the first time.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Results and Discussionmentioning

confidence: 99%

“…It is logical to observe some similarity between the two spectra, as the same covalent bonds exist in both phases (i.e., αand β-HQ). 34 Nevertheless, some characteristic differences are observed between the Raman spectra of the α-HQ and the CO 2 −HQ clathrate. We have noticed that the C−H stretching band, at 3080 cm −1 in α-HQ, is absent in the CO 2 −HQ clathrate form, in good agreement with the calculations of Kubinyi et al 32 In addition, the bands close to 480 and 850 cm −1 , and the group of three bands at 1599, 1610, and 1623 cm −1 , attributed to C−C stretching modes of the HQ molecules, show clear variation in relative band intensities between the two forms.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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CO₂–Hydroquinone Clathrate: Synthesis, Purification, Characterization and Crystal Structure

Torré

Coupan

Chabod

et al. 2016

Crystal Growth & Design

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“…Indeed, IR and Raman modes are supportive of this assignment. The out-of-plane COH bending mode 32 at ∼220 cm −1 shows strong softening behavior starting near 2.4 GPa, concomitant with the NLC behavior in the a axis. No previous high-pressure studies have been reported on β-HQ+H 2 clathrate; however, strong parallels may be drawn with low-temperature molecular dynamics results.…”

mentioning

confidence: 89%

“…Indeed, IR and Raman modes are supportive of this assignment. The out-of-plane COH bending mode at ∼220 cm –1 shows strong softening behavior starting near 2.4 GPa, concomitant with the NLC behavior in the a axis. We interpret this softening as a direct consequence of the third H 2 molecule entering the (OH) 6 ring.…”

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confidence: 90%

Triple Guest Occupancy and Negative Compressibility in Hydrogen-Loaded β-Hydroquinone Clathrate

Rozsa

Strobel

2014

J. Phys. Chem. Lett.

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The molecular interactions and structural behavior of a previously unexplored clathrate system, hydrogen-loaded β-hydroquinone (β-HQ+H2), were investigated under high pressure with synchrotron X-ray diffraction and Raman/infrared spectroscopies. The β-HQ+H2 system exhibits coupling of two independently rare phenomena: multiple occupancy and negative compressibility. The number of H2 molecules per cavity increases from one to three, causing unit cell volume increase by way of unique crystallographic interstitial guest positioning. We anticipate these occupancy-derived trends may be general to a range of inclusion compounds and may aid the chemical and crystallographic design of both high-occupancy hydrogen storage clathrates and novel, variable-composition materials with tunable mechanical properties.

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Isolation of hydroquinone (benzene-1,4-diol) metabolite from halotolerant Bacillus methylotrophicus MHC10 and its inhibitory activity towards bacterial pathogens

Jeyanthi

Anbu

Vairamani

et al. 2015

Bioprocess Biosyst Eng

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A halotolerant bacterial isolate-MHC10 with broad spectrum antibacterial activity against clinical pathogens was isolated from saltpans located in Tuticorin and Chennai (India). 16S rRNA gene analysis of MHC10 revealed close similarity to that of Bacillus methylotrophicus. The culture conditions of B. methylotrophicus MHC10 strain were optimized for antibacterial production using different carbon and nitrogen sources, as well as varying temperature, pH, sodium chloride (NaCl) concentrations and incubation periods. The maximum antibacterial activity of B. methylotrophicus MHC10 was attained when ZMB was optimized with 1 % (w/v) glucose, 0.1 % (w/v) soybean meal which corresponded to a C/N ratio of 38.83, temperature at 37 °C, pH 7.0 and 8 % NaCl. The activity remained stable between 72 and 96 h and then drastically decreased after 96 h. Solvent extraction followed by chromatographic purification steps led to the isolation of hydroquinone (benzene-1,4-diol). The structure of the purified compound was elucidated based on FTIR, (1)H NMR, and (13)C NMR spectroscopy. The compound exhibited efficient antibacterial activity against both Gram-positive and Gram-negative bacterial pathogens. The minimum inhibitory concentration (MIC) for Gram-positive pathogens ranged from 15.625 to 62.5 µg/mL(-1), while it was between 7.81 and 250 µg/mL(-1) for Gram-negative bacterial pathogens. This is the first report of hydroquinone produced by halotolerant B. methylotrophicus exhibiting promising antibacterial activity.

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Infrared spectra of β-hydroquinone–xenon crystal. H/D isotope and temperature effects

Cited by 6 publications

References 13 publications

CO₂–Hydroquinone Clathrate: Synthesis, Purification, Characterization and Crystal Structure

CO₂–Hydroquinone Clathrate: Synthesis, Purification, Characterization and Crystal Structure

Triple Guest Occupancy and Negative Compressibility in Hydrogen-Loaded β-Hydroquinone Clathrate

Isolation of hydroquinone (benzene-1,4-diol) metabolite from halotolerant Bacillus methylotrophicus MHC10 and its inhibitory activity towards bacterial pathogens

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Infrared spectra of β-hydroquinone–xenon crystal. H/D isotope and temperature effects

Cited by 6 publications

References 13 publications

CO2–Hydroquinone Clathrate: Synthesis, Purification, Characterization and Crystal Structure

CO2–Hydroquinone Clathrate: Synthesis, Purification, Characterization and Crystal Structure

Triple Guest Occupancy and Negative Compressibility in Hydrogen-Loaded β-Hydroquinone Clathrate

Isolation of hydroquinone (benzene-1,4-diol) metabolite from halotolerant Bacillus methylotrophicus MHC10 and its inhibitory activity towards bacterial pathogens

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CO₂–Hydroquinone Clathrate: Synthesis, Purification, Characterization and Crystal Structure

CO₂–Hydroquinone Clathrate: Synthesis, Purification, Characterization and Crystal Structure