Publications

Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials

Kamin, A. A.;* Brannan, E. J.;* Snook, K. M.; Krajewski, S.; Gannon, P. M.; Kaminsky, W.; Xiao, D. J. CrystEngComm, 2024, Advance Article.

* Co-first author

Nitrogen-rich conjugated macrocycles: Synthesis, conductivity, and application in electrochemical CO₂ capture

Le, P. H.; Liu, A.; Zasada, L. B.; Geary, J.; Kamin, A. A.; Rollins, D. S.; Nguyen, H.; Hill, A. M.; Liu, Y.; Xiao, D. J. Angew. Chem. Int. Ed. 2024, DOI: 10.1002/anie.202421822.

Controlling the crystal packing and morphology of metal–organic macrocycles through side chain modification

Zasada, L. B.; Le, P. H.; Hill, A. M.; Shafranek, R. T.; Xiao, D. J. ACS Materials Lett. 2024, 6, 3043–3049.

Cooperative catalysis in a crystalline framework with templated acid–base sites

Rollins, D. S.; Geary, J.; Ronning, K.; Snook, K. M.; Xiao, D. J. Chem. Mater. 2024, 36, 5250–5256. 

Selected as an ACS Editors’  Choice article

Macrocyclic ligands open new channels in electrically conductive metal-organic frameworks

Snook, K. M.; Xiao, D. J. Chem 2024, 10, 24–25.

Invited Preview article for: Park, J. and coworkers. Chem 2024, 10, 199–210.

Engineering bimetallic active sites in metal–organic frameworks: Challenges and opportunities

Geary, J.; Xiao, D. J. Chem. Mater. 2024, 36, 4916–4928.

Part of the “Up-and-Coming” series of invited perspectives.

Modular synthesis of templated bimetallic sites in metal–organic framework pores

Geary, J.; Aalto, J. P.; Xiao, D. J. Chem Mater. 2024, 36, 3949–3956.

Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes

Kamin, A. A.; Clayton, T. D.; Otteson, C. E.; Gannon, P. M.; Krajewski, S.; Kaminsky, W.; Jasti, R.; Xiao, D. J. Chem. Sci. 2023,14, 9724–9732.

Selected as a 2023 ChemSci Pick of the Week
Part of “2023 Chemical Science HOT Article Collection“

Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron–tetraoxolene chains

Kamin, A. A.; Moseley, I. P.; Oh, J.; Brannan, E. J.; Gannon, P. M.; Kaminsky, W.; Zadrozny, J. M.; Xiao, D. J. Chem. Sci. 2023, 14, 4083-4090.

Stabilizing Large Pores in a Flexible Metal–organic Framework via Chemical Cross-linking

Rollins, D. S.;* Geary, J.;* Wong, A. H.; Xiao, D. J. Chem Commun. 2022, 58, 12361–12364.

* Co-first author
Invited article, ChemComm 2022 Emerging Investigators collection

Oxidative Control Over the Morphology of Cu₃(HHTP)₂, a 2D Conductive Metal–Organic Framework

Snook, K. M.; Zasada, L. B.; Chehada, D.; Xiao, D. J. Chem. Sci. 2022, 13, 10472–10478.

Part of “Most Popular 2022 Materials and Energy Articles” themed collection

Conjugated Metal–Organic Macrocycles: Synthesis, Characterization, and Electrical Conductivity

Zasada, L. B.; Guio, L.; Kamin, A. A.; Dhakal, D.; Monahan, M.; Seidler, G. T.; Luscombe, C. K.; Xiao, D. J. J. Am. Chem. Soc. 2022, 144, 4515–4521.

Research highlight in Nature Reviews Materials: “Macrocycles Channeling MOFs”
Highlighted as an #NSynthPick of the week by @NatureSynthesis

Thermolabile Cross-linkers for Templating Precise Multicomponent Metal–Organic Framework Pores

Geary, J.; Wong, A. H.; Xiao, D. J. J. Am. Chem. Soc. 2021, 143, 10317–10323.

Robust Synthetic Route Toward Anisotropic Metal–Organic Cages with Tunable Surface Chemistry

Do, M.; Rogers, D.; Kaminsky, W.; Xiao, D. J. Inorg. Chem. 2021, 60, 7602–7606.

A Closed Cycle for Esterifying Aromatic Hydrocarbons with CO₂ and Alcohol

Xiao, D. J.; Chant, E. D.; Frankhouser, A. D.; Chen, Y.; Yau, A.; Washton, N. M.; Kanan, M. W. Nat. Chem. 2019, 11, 940–947.

Pore Environment Effects on Catalytic Cyclohexane Oxidation in Expanded Fe₂(dobdc) Analogues

Xiao, D. J.; Oktawiec, J.; Milner, P. J.; Long, J. R. J. Am. Chem. Soc. 2016, 138, 14371–14379.

Selective, Tunable O₂ Binding in Cobalt(II)–Triazolate/Pyrazolate Metal–Organic Frameworks

Xiao, D. J.; Gonzalez, M. I.; Darago, L. E.; Vogiatzis, K.; Gagliardi, L.; Long, J. R. J. Am. Chem. Soc. 2016, 138, 7161–7170.

Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron (II)–Triazolate Metal–Organic Framework

Reed, D. A.; Xiao, D. J.; Gonzalez, M. I.; Darago, L. E.; Long, J. R. J. Am. Chem. Soc. 2016, 138, 5594–5602.

Oxidation of Ethane to Ethanol by N₂O in a Metal–Organic Framework with Coordinatively Unsaturated Iron(II) Sites

Xiao, D. J.; Bloch, E. D.; Mason, J. A.; Queen, W. L.; Hudson, M. R.; Planas, N.; Borycz, J.; Dzubak, A. L.; Verma, P.; Lee, K.; Bonino, F.; Crocellà, V.; Yano, J.; Bordiga, S.; Truhlar, D. G.; Gagliardi, L.; Brown, C. M.; Long, J. R. Nat. Chem. 2014, 6, 590–595.

Biomimetic O₂ Adsorption in an Iron Metal–Organic Framework for Air Separation

Reed, D. A.; Xiao, D. J.; Jiang, H. Z. H.; Chakarawet, K.; Oktawiec, J.; Long, J. R. Chem. Sci. 2020, 11, 1698–1702.

A Spin Transition Mechanism for Cooperative Adsorption in Metal–Organic Frameworks

Reed, D. A.; Keitz, B. K.; Oktawiec, J.; Mason, J. A.; Runčevski, T.; Xiao, D. J.; Darago, L. E.; Crocellà, V.; Bordiga, S.; Long, J. R. Nature 2017, 550, 96–100.

Effect of Defect Site Preorganization on Fe (III) Grafting and Stability: A Comparative Study of Delaminated Zeolite vs Amorphous Silica Supports

Grosso-Giordano, N. A.; Yeh, A. J.; Okrut, A.; Xiao, D. J.; Grandjean, F.; Long, G. J.; Zones, S. I.; Katz, A. Chem. Mater. 2017, 29, 6480–6492.

Ruthenium Metal–Organic Frameworks with Different Defect Types: Influence on Porosity, Sorption, and Catalytic Properties

Zhang, W.; Kauer, M.; Halbherr, O.; Epp, K.; Guo, P.; Gonzalez, M. I.; Xiao, D. J.; Wiktor, C.; Xamena, L.; Francesc, X.; Woll, C.; Wang, Y.; Muhler, M.; Fischer, R. A. Chem. Eur. J. 2016, 22, 14297–14307.

Accelerated Computational Analysis of Metal–Organic Frameworks for Oxidation Catalysis

Vogiatzis, K. D.; Haldoupis, E.; Xiao, D. J.; Long, J. R.; Siepmann, J. I.; Gagliardi, L. J. Phys. Chem. C. 2016, 120, 18707–18712.

Hydrogen Storage and Selective, Reversible O₂ Adsorption in a Metal–Organic Framework with Open Chromium(II) Sites

Bloch, E. D.; Queen, W. L.; Hudson, M. R.; Mason, J. A.; Xiao, D. J.; Murray, L. J.; Flacau, R.; Brown, C. M.; Long, J. R. Angew. Chem. Int. Ed. 2016, 55, 8605–8609.

Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal–Organic Frameworks

Mercado, R.; Vlaisavljevich, B.; Lin, L. –C.; Lee, K.; Lee, Y.; Mason, J. A.; Xiao, D. J.; Gonzalez, M.; Kapelewski, M. T.; Neaton, J. B.; Smit, B. J. Phys. Chem. C. 2016, 120, 12590–12604.

Structural and Electronic Effects on the Properties of Fe₂(dobdc) upon Oxidation with N₂O

Borycz, J.; Paier, J.; Verma, P.; Darago, L. E.; Xiao, D. J.; Truhlar, D. G.; Long, J. R.; Gagliardi, L. Inorg. Chem. 2016, 55, 4924–4934.

Mechanism of Oxidation of Ethane to Ethanol at Iron (IV)–Oxo Sites in Magnesium-Diluted Fe2 (dobdc)

Verma, P.; Vogiatzis, K.; Planas, N.; Borycz, J.; Xiao, D. J.; Long, J. R.; Gagliardi, L.; Truhlar, D.  J. Am. Chem. Soc. 2015, 137, 5770-5781.

Growth of a Highly Porous Coordination Polymer on a Macroporous Polymer Monolith Support for Enhanced Immobilized Metal Ion Affinity Chromatographic Enrichment of Phosphopeptides

Saeed, A.; Maya, F.; Xiao, D. J.; Najam-ul-Haqq, M.; Svec, F.; Britt, D. K. Adv. Funct. Mater. 2014, 24, 5790–5797.

M₂(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal–Organic Frameworks Exhibiting Increased Charge Density and Enhanced H₂ Binding at the Open Metal Sites

Kapelewski, M. T.; Geier, S. J.; Hudson, M. R.; Stück, D.; Mason, J. A.; Nelson, J. N.; Xiao, D. J.; Hulvey, Z.; Gilmour, E.; FitzGerald, S. A.; Head-Gordon, M.; Brown, C. M.; Long, J. R. J. Am. Chem. Soc. 2014, 136, 12119-12129.

An Azophenine Radical-Bridged Fe₂ Single-Molecule Magnet with Record Magnetic Exchange Coupling

Jeon, I. R.; Park, J. G.; Xiao, D. J.; Harris, T. D. J. Am. Chem. Soc. 2013, 135, 16845–16848.

Mössbauer Spectroscopy as a Probe of Magnetization Dynamics in the Linear Iron (I) and Iron (II) Complexes [Fe(C(SiMe₃)₃)₂]^1–/0

Zadrozny, J. M.; Xiao, D. J.; Long, J. R.; Atanasov, M.; Neese, F.; Grandjean, F.; Long, G. J. Inorg. Chem. 2013, 52, 13123–13131.

Magnetic Blocking in a Linear Iron(I) Complex

Zadrozny, J. M.; Xiao, D. J.; Atanasov, M.; Long, G. J.; Grandjean, F.; Neese, F.; Long, J. R. Nat. Chem. 2013, 5, 577–581.

Trigonal Mn₃ and Co₃ Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure

Fout, A. R.; Xiao, D. J.; Zhao, Q.; Harris, D. T.; King, E. R.; Eames, E. V.; Zheng, S. -L.; Betley, T. A. Inorg. Chem. 2012, 51, 10290–10299.

Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn₆(μ⁶-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities 

Fout, A. R.; Zhao, Q.; Xiao, D. J.; Betley, T. A. J. Am. Chem. Soc. 2011, 133, 16750–16753.P