The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Computational and Experimental Studies on the Adsorption of CO, N2, and CO2on Mg-MOF-74
Abstract
Adsorption of carbon monoxide, dinitrogen, and carbon dioxide on the porous metal−organic framework Mg-MOF-74 was investigated by means of a combined methodology comprising variable-temperature infrared spectroscopy and ab initio periodic DFT-D calculations using the CRYSTAL code. Both CO and N 2 were found to form nearly linear (Mg 2+ ···CO and Mg 2+ ···NN) adsorption complexes, in contrast with CO 2, which forms an angular Mg 2+ ···OCO complex. From IR spectra recorded at a variable-temperature, the standard adsorption enthalpy (Δ H 0 ) was found to be −29, −21, and −47 kJ mol −1 for CO, N 2, and CO 2, respectively. Calculated values of Δ H 0, including an empirical correction for dispersion forces, resulted to be in a reasonably good agreement with those experimentally obtained. Calculations also showed the very significant role played by dispersion forces, which account for about one-half of the adsorption enthalpy for each of the three adsorbates, CO, N 2, and CO 2 . The results are discussed in the broader context of the adsorption of the same gases on other MOFs and also on zeolites.
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Cites
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
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Millward, A. R., & Yaghi, O. M. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0570032 · Cited by 2,876
Alkali and alkaline-earth cation exchanged chabazite zeolites for adsorption based CO2 capture
Zhang, J., Singh, R., & Webley, P. A. (2008) · Microporous and Mesoporous Materials · doi:10.1016/j.micromeso.2007.08.022 · Cited by 313
Cited by
Valenzano, L., Civalleri, B., Chavan, S., Bordiga, S., Nilsen, M. H., Jakobsen, S., Lillerud, K. P., & Lamberti, C. (2011) · Chemistry of Materials · doi:10.1021/cm1022882 · Cited by 1,919
Self-citationKökçam-Demir, Ü., Goldman, A., Esrafili, L., Gharib, M., Morsali, A., Weingart, O., & Janiak, C. (2020) · Chemical Society Reviews · doi:10.1039/c9cs00609e · Cited by 895
Microwave synthesis and characterization of MOF-74 (M=Ni, Mg) for gas separation
Wu, X., Bao, Z., Yuan, B., Wang, J., Sun, Y., Luo, H., & Deng, S. (2013) · Microporous and Mesoporous Materials · doi:10.1016/j.micromeso.2013.06.023 · Cited by 314
Shaped natural and synthetic zeolites for CO2 capture in a wide temperature range
Cavallo, M., Dosa, M., Porcaro, N. G., Bonino, F., Piumetti, M., & Crocellà, V. (2023) · Journal of CO2 Utilization · doi:10.1016/j.jcou.2022.102335 · Cited by 77
Stability of MOF-5 in a hydrogen gas environment containing fueling station impurities
Ming, Y., Purewal, J., Yang, J., Xu, C., Veenstra, M., Gaab, M., Müller, U., & Siegel, D. J. (2016) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2016.03.155 · Cited by 25
Metadata
- Authors
- Valenzano, L., Civalleri, B., Chavan, S., Palomino, G. T., Areán, C. O., & Bordiga, S.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2010-06-03
- Volume
- 114
- Issue
- 25
- Pages
- 11185-11191
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2018664638
- Cited by
- 358
- References
- 4
- FWCI
- 16.50
- Type
- journal article
- Language
- en
- Open access
- closed
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