IR spectra of CO2 and N2O adsorbed on C60 and other carbon allotropes - a comparative study

Fastow, M.; Kozirovski, Y.; Folman, M.

doi:10.1016/0368-2048(93)80158-i

Cited by 20 publications

(20 citation statements)

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“…The absorption bands at 2332, 2320, 661, and 645 cm −1 have been observed before and are indicative of physical adsorbed CO 2 . ,− Gaseous CO 2 is a linear molecule with two infrared-active absorption bands at 2349 cm −1 (ν 3 antisymmetric stretching mode) and 667 cm −1 (ν 2 bending mode) . The ν 2 CO 2 bending mode is doubly degenerate.…”

Section: Resultsmentioning

confidence: 61%

Mechanism for the Dynamic Adsorption of CO₂ and CH₄ in a Flexible Linear Chain Coordination Polymer as Determined from In Situ Infrared Spectroscopy

et al. 2010

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Adsorption-desorption cycles for CO 2 and CH 4 on the one-dimensional coordination polymer, catenabis(dibenzoylmethanato)-(4,4′-bipyridyl)nickel(II), "Ni-DBM-BPY", showed pronounced step-shape isotherms, where minimal gas adsorption was detected below a threshold pressure and rapid gas uptake was observed above this threshold. Desorption isotherms from the saturated state displayed significant hysteresis from the adsorption isotherm path. Such behavior is rare in one-dimensional coordination polymers that lack a robust framework with permanent porosity. This step-shape adsorption behavior for CO 2 was shown by in situ FT-IR measurements to be the result of a structural phase transition in the Ni-DBM-BPY host which arises from a change in conformation of the DBM ligands. After the structural transition, the adsorption spectrum of the adsorbed CO 2 changed significantly due to an enhanced CO 2 interaction with the host. A similar mechanism can be inferred for CH 4 from the isotherm shape, but the host structural phase transitions could not be observed directly with CH 4 uptake, since the threshold conditions were outside the temperature and pressure limits of the instrument. These reported results highlight the importance of in situ FT-IR measurements for determining gas adsorption mechanisms in flexible porous coordination polymers.

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Section: Resultsmentioning

confidence: 61%

Mechanism for the Dynamic Adsorption of CO₂ and CH₄ in a Flexible Linear Chain Coordination Polymer as Determined from In Situ Infrared Spectroscopy

et al. 2010

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“…As CuBzPyz was exposed to 4 atm of CO 2 , new infrared bands appeared at 2333, 660, and 647 cm −1 (Figure , blue). The feature at 2333 cm −1 is typical of the ν 3 antisymmetric stretching mode of physisorbed CO 2 in porous carbonaceous materials and is red-shifted from the gas-phase value of 2349 cm −1 as a result of the interaction with the adsorption site. ,− Splitting of the CO 2 ν 2 bending mode is often observed upon adsorption of CO 2 . ,,− This mode typically red-shifts from the gas-phase value of 667 cm −1 and splits into an in-plane (lower frequency) and out-of-plane bend (higher frequency) upon physiosorption. The splitting is a result of symmetry-induced lifting of the double degeneracy associated with this vibration when the molecule is involved in such a noncovalent interaction.…”

Section: Resultsmentioning

confidence: 99%

“…The feature at 2333 cm -1 is typical of the ν 3 antisymmetric stretching mode of physisorbed CO 2 in porous carbonaceous materials and is red-shifted from the gas-phase value of 2349 cm -1 as a result of the interaction with the adsorption site. 26,[44][45][46][47][48][49] Splitting of the CO 2 ν 2 bending mode is often observed upon adsorption of CO 2 . 26,34,[50][51][52][53][54] This mode typically red-shifts from the gas-phase value of 667 cm -1 and splits into an in-plane (lower frequency) and out-of-plane bend (higher frequency) upon physiosorption.…”

Section: Resultsmentioning

confidence: 99%

FT-IR Study of CO₂ Adsorption in a Dynamic Copper(II) Benzoate−Pyrazine Host with CO₂−CO₂ Interactions in the Adsorbed State

et al. 2011

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A detailed correlation is presented between the in situ Fourier transform-infrared (FT-IR) spectra of adsorbed CO2, CuBzPyz host bands, and CO2 adsorption sites using previously reported crystal structures of CO2-loaded CuBzPyz and CO2 adsorption isotherms. Through the analysis of both in situ attenuated total reflectance FT-IR spectra taken at several points on the high pressure isotherm and in situ transmission FT-IR spectra acquired at low pressures and cryogenic temperatures, we provide additional insight into the pore-filling mechanism of CO2 on the structurally dynamic CuBzPyz host. The FT-IR spectrum of adsorbed CO2 shows distinct ν2 and ν3 spectral features that can be attributed to known CO2 adsorption sites observed in the reported crystal structure of the CO2-saturated phase of CuBzPyz. The availability of detailed high quality CO2-loaded structural data for CuBzPyz makes this system a case study for associating infrared spectral features with CO2 adsorption sites and should prove valuable for future interpretations of CO2 host−guest and guest−guest interactions when X-ray quality structural data is unavailable.

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“…Despite the large amount of research devoted to C 60 since its discovery and preparation in macroquantities, to our knowledge no adsorption studies of this material have been reported, except for a number of publications from our laboratory. [3][4][5] Application of IR spectroscopy, one of the major tools in surface science research, posed some difficulties in the study of adsorbates on graphite and carbon films, due to low transparency and reflectivity of these materials. This difficulty is not encountered in the case of C 60 .…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Surface Heterogeneity of C₆₀ As Studied by Infrared Spectroscopy of Adsorbed CO and Adsorption Potential Calculations

1997

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In our recent investigation of the IR spectrum of CO physically adsorbed on C60 films, two well-resolved absorption bands at 2135 and 2128 cm -1 were found, suggesting that the molecule is adsorbed on two different sites. To determine the nature of these adsorption sites, calculations of adsorption potentials and spectral shifts for the CO/C60 system were performed. The calculations were done for the fcc (100), fcc ( 111) hcp (001), and hcp (111) surface planes. In the calculations the 6-exponential and the Lennard-Jones potentials were used. A number of adsorption sites were chosen. These included the void space between four, three, and two neighboring C60 molecules and the center of the hexagon and the pentagon on the C60 surface. The calculated potentials and spectral shifts clearly indicate that adsorption sites in the voids between the C60 molecules are energetically preferred over sites on top of single C60 molecules. Comparison is made between results obtained with the two potentials and with results obtained previously with the two other carbon allotropes: graphite and diamond.

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IR spectra of CO2 and N2O adsorbed on C60 and other carbon allotropes - a comparative study

Cited by 20 publications

References 5 publications

Mechanism for the Dynamic Adsorption of CO₂ and CH₄ in a Flexible Linear Chain Coordination Polymer as Determined from In Situ Infrared Spectroscopy

Mechanism for the Dynamic Adsorption of CO₂ and CH₄ in a Flexible Linear Chain Coordination Polymer as Determined from In Situ Infrared Spectroscopy

FT-IR Study of CO₂ Adsorption in a Dynamic Copper(II) Benzoate−Pyrazine Host with CO₂−CO₂ Interactions in the Adsorbed State

Surface Heterogeneity of C₆₀ As Studied by Infrared Spectroscopy of Adsorbed CO and Adsorption Potential Calculations

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IR spectra of CO2 and N2O adsorbed on C60 and other carbon allotropes - a comparative study

Cited by 20 publications

References 5 publications

Mechanism for the Dynamic Adsorption of CO2 and CH4 in a Flexible Linear Chain Coordination Polymer as Determined from In Situ Infrared Spectroscopy

Mechanism for the Dynamic Adsorption of CO2 and CH4 in a Flexible Linear Chain Coordination Polymer as Determined from In Situ Infrared Spectroscopy

FT-IR Study of CO2 Adsorption in a Dynamic Copper(II) Benzoate−Pyrazine Host with CO2−CO2 Interactions in the Adsorbed State

Surface Heterogeneity of C60 As Studied by Infrared Spectroscopy of Adsorbed CO and Adsorption Potential Calculations

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Mechanism for the Dynamic Adsorption of CO₂ and CH₄ in a Flexible Linear Chain Coordination Polymer as Determined from In Situ Infrared Spectroscopy

Mechanism for the Dynamic Adsorption of CO₂ and CH₄ in a Flexible Linear Chain Coordination Polymer as Determined from In Situ Infrared Spectroscopy

FT-IR Study of CO₂ Adsorption in a Dynamic Copper(II) Benzoate−Pyrazine Host with CO₂−CO₂ Interactions in the Adsorbed State

Surface Heterogeneity of C₆₀ As Studied by Infrared Spectroscopy of Adsorbed CO and Adsorption Potential Calculations