The DOI matches its Crossref record; 28 of the 28 references it cites were found in a registry or an index.
Kinetic, Spectroscopic, and Theoretical Assessment of Associative and Dissociative Methanol Dehydration Routes in Zeolites
Abstract
Mechanistic interpretations of rates and in situ IR spectra combined with density functionals that account for van der Waals interactions of intermediates and transition states within confining voids show that associative routes mediate the formation of dimethyl ether from methanol on zeolitic acids at the temperatures and pressures of practical dehydration catalysis. Methoxy‐mediated dissociative routes become prevalent at higher temperatures and lower pressures, because they involve smaller transition states with higher enthalpy, but also higher entropy, than those in associative routes. These enthalpy–entropy trade‐offs merely reflect the intervening role of temperature in activation free energies and the prevalence of more complex transition states at low temperatures and high pressures. This work provides a foundation for further inquiry into the contributions of H‐bonded methanol and methoxy species in homologation and hydrocarbon synthesis reactions from methanol.
Overview
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
Claims other papers make about this one
Each is checked against this paper’s own text: does it say what the citing paper says it does?
In the citing paper
“AtBrønstedacidsites,DMEcanbeformedviatheconcertedandthestepwisemechanism.”
From Reactivity of Surface Lewis and Brønsted Acid Sites in Zeolite Catalysis: A Computational Case Study of DME Synthesis Using H-SSZ-13 (2022) · cites this paper as [76]
In the citing paper
“Duetothehigherentropicpenaltyofthe concertedmechanism,thestepwisemechanismtypically contributesmoretotheoverallreactionrateathighertemperatures. 19,76,104”
From Reactivity of Surface Lewis and Brønsted Acid Sites in Zeolite Catalysis: A Computational Case Study of DME Synthesis Using H-SSZ-13 (2022) · cites this paper as [76]
In the citing paper
“Intheconcertedmechanism,twoadsorbedMeOH reactdirectly.”
From Reactivity of Surface Lewis and Brønsted Acid Sites in Zeolite Catalysis: A Computational Case Study of DME Synthesis Using H-SSZ-13 (2022) · cites this paper as [76]
In the citing paper
“Ourcalculationsthussuggestthatthestepwisemechanismdominates atthesereactionconditions,inlinewithearliertheoretical work. 76,104”
From Reactivity of Surface Lewis and Brønsted Acid Sites in Zeolite Catalysis: A Computational Case Study of DME Synthesis Using H-SSZ-13 (2022) · cites this paper as [76]
In the citing paper
“Inthestepwisemechanism,DMEisformed throughreactionofasurfacemethoxyspecies(SMS)with MeOH.”
From Reactivity of Surface Lewis and Brønsted Acid Sites in Zeolite Catalysis: A Computational Case Study of DME Synthesis Using H-SSZ-13 (2022) · cites this paper as [76]
Citations
Cites
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Ab initio molecular dynamics for liquid metals
Kresse, G., & Häfner, J. (1993) · Physical review. B, Condensed matter · doi:10.1103/physrevb.47.558 · Cited by 46,097
Henkelman, G., & Jónsson, H. (2000) · The Journal of Chemical Physics · doi:10.1063/1.1323224 · Cited by 9,613
Henkelman, G., & Jónsson, H. (1999) · The Journal of Chemical Physics · doi:10.1063/1.480097 · Cited by 3,540
Higher-accuracy van der Waals density functional
Lee, K., Murray, É., Kong, L., Lundqvist, B. I., & Langreth, D. C. (2010) · Physical Review B · doi:10.1103/physrevb.82.081101 · Cited by 2,765
Olsbye, U., Svelle, S., Bjørgen, M., Beato, P., Janssens, T. V. W., Joensen, F., Bordiga, S., & Lillerud, K. P. (2012) · Angewandte Chemie International Edition · doi:10.1002/anie.201103657 · Cited by 1,809
Methanol-to-hydrocarbons: catalytic materials and their behavior
Stöcker, M. (1999) · Microporous and Mesoporous Materials · doi:10.1016/s1387-1811(98)00319-9 · Cited by 1,481
Brändle, M. P., & Sauer, J. (1998) · Journal of the American Chemical Society · doi:10.1021/ja9729037 · Cited by 380
Flagged first, then by citations
Research works printed but not linked: 1
- 10.1021/jp962006 · DOI
Cited by
Sorted by citations
Items 101–142 of 142
Banu, I., Ganea, R., Vasilievici, G., Anghel, A., Gogulancea, V., Isopencu, G. O., & Bozga, G. (2018) · Energy & Fuels · doi:10.1021/acs.energyfuels.8b01839 · Cited by 14
Khaleel, A. A., Ahmed, M., & Sowaid, S. B. (2019) · Colloids and Surfaces A Physicochemical and Engineering Aspects · doi:10.1016/j.colsurfa.2019.03.052 · Cited by 14
Gupta, G., & Bukowski, B. C. (2024) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.4c05841 · Cited by 11
Microenvironment perturbations driving methanol low-temperature conversion over zeolite
Liu, F., Yi, X., Liu, T., Chen, W., Yang, J., Xiao, Y., Qin, Y., Song, L., & Zheng, A. (2025) · Science Advances · doi:10.1126/sciadv.ads4018 · Cited by 11
Yeboah, I., Li, Y., Rajendran, K., Rout, K. R., & Chen, D. (2021) · Industrial & Engineering Chemistry Research · doi:10.1021/acs.iecr.1c00113 · Cited by 11
Molecular Tuning of Reactivity of Zeolite Protons in HZSM-5
Chen, Y., Ma, X., Hack, J. H., Zhang, S., Peng, A., Dombrowski, J. P., Voth, G. A., Tokmakoff, A., Kung, M. C., & Kung, H. H. (2024) · Journal of the American Chemical Society · doi:10.1021/jacs.3c12680 · Cited by 10
Yu, M., Mo, T., Li, H., Li, S., Lü, B., Zhao, J., & Cai, Q. (2022) · Fuel Processing Technology · doi:10.1016/j.fuproc.2022.107524 · Cited by 9
Trends in the Reactivity of Proximate Aluminum Sites in H-SSZ-13
Smith, A. T., Pleßow, P. N., & Studt, F. (2021) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.1c03509 · Cited by 10
Yuan, J. S., He, Z., & Zhang, H. (2023) · Journal of Catalysis · doi:10.1016/j.jcat.2023.04.009 · Cited by 9
Innocenti, G., Emig, S., Meyer, L., Mueller, M., Hanf, S., Schunk, S. A., Kindler, A., & Sievers, C. (2022) · ChemCatChem · doi:10.1002/cctc.202200814 · Cited by 9
Yang, Z., Dennis‐Smither, B. J., Buda, C., Easey, A., Jackson, F., Price, G. A., Sainty, N., Tan, X., Xu, Z., & Sunley, G. J. (2023) · Catalysis Science & Technology · doi:10.1039/d3cy00105a · Cited by 9
Liu, H., Li, H., Lü, B., Li, S., Zhao, J., & Cai, Q. (2023) · Colloids and Surfaces A Physicochemical and Engineering Aspects · doi:10.1016/j.colsurfa.2022.130860 · Cited by 8
Li, M., Chen, J., Hall, J. N., & Bollini, P. (2023) · Catalysis Science & Technology · doi:10.1039/d2cy01877b · Cited by 7
Entropy Contributions to Transition State Modeling
Wispelaere, K. D., Vanduyfhuys, L., & Speybroeck, V. V. (2017) · Elsevier eBooks · doi:10.1016/b978-0-12-805057-6.00006-5 · Cited by 7
Influence of Confinement on Barriers for Alkoxide Formation in Acidic Zeolites
Fečík, M., Pleßow, P. N., & Studt, F. (2021) · ChemCatChem · doi:10.1002/cctc.202100009 · Cited by 7
Xing, S., Liu, K.-K., Wang, T., & Han, M. (2021) · Molecular Catalysis · doi:10.1016/j.mcat.2021.111762 · Cited by 6
Crossley-Lewis, J., Dunn, J., Hickman, I. F., Jackson, F., Sunley, G. J., Buda, C., Mulholland, A. J., & Allan, N. L. (2024) · Physical Chemistry Chemical Physics · doi:10.1039/d3cp05987a · Cited by 4
Hullfish, C. W., Tan, J. Z., Repins, C. J., & Sarazen, M. L. (2026) · ChemCatChem · doi:10.1002/cctc.202501781 · Cited by 3
Insights into the alkylation of benzene with olefins: effect of chain length of the olefins
Xing, S., Zhao, Y.-H., Wang, T., & Han, M. (2022) · Catalysis Science & Technology · doi:10.1039/d2cy01530g · Cited by 3
Yang, Z., Dennis‐Smither, B. J., Xu, Z., Zhao, Z., Guo, M., Sainty, N., Hou, G., Liu, X., & Sunley, G. J. (2023) · Chemistry · doi:10.3390/chemistry5010037 · Cited by 3
Microkinetic study of syngas conversion to dimethyl ether over a bifunctional catalyst: CZA/FER
Cho, J., Park, J., Jung, H. S., Bae, J. W., Na, J., Lee, W. B., & Park, M. (2023) · Korean Journal of Chemical Engineering · doi:10.1007/s11814-023-1531-y · Cited by 3
Rosenbach, N. J., Fernandes, D. R., & Mota, C. J. A. (2024) · ACS Omega · doi:10.1021/acsomega.4c03593 · Cited by 3
Liu, F., Yi, X., Yuan, J., Xing, Y., Xiao, Y., Liu, Z., & Zheng, A. (2025) · Nature Communications · doi:10.1038/s41467-025-64524-6 · Cited by 3
Mo, H., Xiao, Y., & Yang, D. (2026) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5c07021 · Cited by 2
Theoretical Tool Box for a Better Catalytic Understanding
Waroquier, M., Wispelaere, K. D., Hajek, J., Rogge, S. M. J., der Mynsbrugge, J. V., & Speybroeck, V. V. (2017) · Wiley eBooks · doi:10.1002/9783527699827.ch40 · Cited by 2
He, Z., & Zhang, H. (2024) · ChemSusChem · doi:10.1002/cssc.202400478 · Cited by 1
Liu, N., Zhang, T., Dai, C., Xu, R., Yu, G., Wang, N., & Chen, B. (2025) · Chemical Science · doi:10.1039/d5sc02092a · Cited by 1
Metal containing nanoclusters in zeolites
Li, G., & Pidko, E. A. (2021) · Elsevier eBooks · doi:10.1016/b978-0-12-823144-9.00022-4 · Cited by 1
Development of Heterogeneous Catalysts for Dehydration of Methanol to Dimethyl Ether: a Review
Bateni, H., & Able, C. M. (2018) · Kataliz v promyshlennosti · doi:10.18412/1816-0387-2018-4-6-30
Rorrer, J. E. (2019) · eScholarship (California Digital Library)
Simons, M. C. (2021) · University of Minnesota Digital Conservancy (University of Minnesota)
Preise der North American Catalysis Society: J. Pérez‐Ramírez, E. Iglesia und A. Datye
(2019) · Angewandte Chemie · doi:10.1002/ange.201904363
Prizes of the North American Catalysis Society: J. Pérez‐Ramírez, E. Iglesia, and A. Datye
(2019) · Angewandte Chemie International Edition · doi:10.1002/anie.201904363
Yu, M., Mo, T., Li, H., Li, S., Lu, B., Zhao, J., & Cai, Q. (2022) · SSRN Electronic Journal · doi:10.2139/ssrn.4186840
Mo, T., Yu, M., Li, H., Li, S., Lu, B., Zhao, J., & Cai, Q. (2022) · SSRN Electronic Journal · doi:10.2139/ssrn.4199438
Grajales-González, E., van Duin, A. C. T., & Sarathy, S. M. (2025) · Physical Chemistry Chemical Physics · doi:10.1039/d5cp02704g
Lissens, M.-E. M., Mendes, P. S. F., Sabbe, M. K., & Thybaut, J. W. (2025) · Chemical Engineering Journal · doi:10.1016/j.cej.2025.171388
Frustrated Brønsted Pairs: A Kind of Highly Active but Neglected Site in HZSM‐5 Zeolite
Liu, H., Huang, Z., & Chang, C.-R. (2026) · Angewandte Chemie International Edition · doi:10.1002/anie.5832908
Glycerol etherification with ethanol over Beta zeolites of varied void polarity
Kimpiab, E. E., Hur, Y. G., Ezendu, S., Foster, S. E., Degenstein, J. C., Tomasoa, V. M., Blackstock, S. C., Szilvási, T., Bara, J. E., & Harris, J. W. (2026) · Journal of Catalysis · doi:10.1016/j.jcat.2026.117130
Hullfish, C. W., Suwannapong, O., & Sarazen, M. L. (2026) · Journal of Catalysis · doi:10.1016/j.jcat.2026.117175
Topology‐Dependent Iso ‐Propanol Dehydration Pathway Over Zeolites
Yu, X., Xiao, Y., Yi, X., Liu, F., Xing, Y., Zhang, W., Liu, Z., Liu, C., Zhao, L., & Zheng, A. (2026) · Angewandte Chemie International Edition · doi:10.1002/anie.8996543
Metadata
- Authors
- Jones, A. J., & Iglesia, E.
- Affiliations
- University of California, Berkeley (US)
- ORCID
- Jones, Andrew J.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2014-09-11
- Volume
- 53
- Issue
- 45
- Pages
- 12177-12181
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2121218313
- Cited by
- 142
- References
- 28
- Citations by year
- 2026: 6 · 2025: 5 · 2024: 8 · 2023: 11 · 2022: 12 · 2021: 22 · 2020: 18 · 2019: 17 · 2018: 14 · 2017: 12 · 2016: 7 · 2015: 10
- FWCI
- 4.11
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Angewandte Chemie International Edition (publishedVersion)
- PubMed (publishedVersion)
- Topics
- Physical Sciences › Chemistry › Inorganic Chemistry › Zeolite Catalysis and Synthesis
- Physical Sciences › Chemical Engineering › Catalysis › Catalysis and Oxidation Reactions
- Physical Sciences › Chemistry › Organic Chemistry › Chemical Synthesis and Reactions
- Keywords
- methanol dehydration, zeolites, dimethyl ether, methoxy intermediate, reaction mechanism, transition state, activation free energy, in situ infrared spectroscopy, density functional theory, van der Waals interactions, hydrocarbon synthesis
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
