NMR Spectroscopy Reveals Adsorbate Binding Sites in the Metal–Organic Framework UiO-66(Zr)
Abstract
In this paper, we assign 1H and 13C NMR resonances emanating from acetone, methanol, and cyclohexane adsorbed inside the pores of UiO-66(Zr). These results are informed by density functional theory (DFT) calculations, which probe the role of two competing effects inside of the pore environment: (i) nucleus independent chemical shifts (NICSs) generated by ring currents in conjugated linkers and (ii) small molecule coordination to the metal-oxyhydroxy cluster. These interactions are found to perturb the chemical shift of in-pore adsorbate relative to ex-pore adsorbate (which resides in spaces between the MOF particles). Changes in self-solvation upon adsorption may also perturb the chemical shift. Our results indicate that cyclohexane preferentially adsorbs in the tetrahedral pores of UiO-66(Zr), while acetone and methanol adsorb at the Zr–OH moieties on the metal-oxyhydroxy clusters in a more complex fashion. Finally, this method may be used to probe molecular adsorption sites and material void saturation with selected adsorbates, and with further development may eventually be used to trace in-pore chemistry of MOF materials.
- Authors:
-
[1];
[2];
[1];
- Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering
- Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering. Dept. of Chemistry. Berkeley Energy and Climate Inst.
- Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); National Inst. of Health (NIH) (United States)
- OSTI Identifier:
- 1464165
- Grant/Contract Number:
- AC02-05CH11231; SC0001015; DGE # 1106400; S10OD023532
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. C
- Additional Journal Information:
- Journal Volume: 122; Journal Issue: 15; Journal ID: ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Nandy, Aditya, Forse, Alexander C., Witherspoon, Velencia J., and Reimer, Jeffrey A. NMR Spectroscopy Reveals Adsorbate Binding Sites in the Metal–Organic Framework UiO-66(Zr). United States: N. p., 2018.
Web. doi:10.1021/acs.jpcc.7b12628.
Nandy, Aditya, Forse, Alexander C., Witherspoon, Velencia J., & Reimer, Jeffrey A. NMR Spectroscopy Reveals Adsorbate Binding Sites in the Metal–Organic Framework UiO-66(Zr). United States. https://doi.org/10.1021/acs.jpcc.7b12628
Nandy, Aditya, Forse, Alexander C., Witherspoon, Velencia J., and Reimer, Jeffrey A. Fri .
"NMR Spectroscopy Reveals Adsorbate Binding Sites in the Metal–Organic Framework UiO-66(Zr)". United States. https://doi.org/10.1021/acs.jpcc.7b12628. https://www.osti.gov/servlets/purl/1464165.
@article{osti_1464165,
title = {NMR Spectroscopy Reveals Adsorbate Binding Sites in the Metal–Organic Framework UiO-66(Zr)},
author = {Nandy, Aditya and Forse, Alexander C. and Witherspoon, Velencia J. and Reimer, Jeffrey A.},
abstractNote = {In this paper, we assign 1H and 13C NMR resonances emanating from acetone, methanol, and cyclohexane adsorbed inside the pores of UiO-66(Zr). These results are informed by density functional theory (DFT) calculations, which probe the role of two competing effects inside of the pore environment: (i) nucleus independent chemical shifts (NICSs) generated by ring currents in conjugated linkers and (ii) small molecule coordination to the metal-oxyhydroxy cluster. These interactions are found to perturb the chemical shift of in-pore adsorbate relative to ex-pore adsorbate (which resides in spaces between the MOF particles). Changes in self-solvation upon adsorption may also perturb the chemical shift. Our results indicate that cyclohexane preferentially adsorbs in the tetrahedral pores of UiO-66(Zr), while acetone and methanol adsorb at the Zr–OH moieties on the metal-oxyhydroxy clusters in a more complex fashion. Finally, this method may be used to probe molecular adsorption sites and material void saturation with selected adsorbates, and with further development may eventually be used to trace in-pore chemistry of MOF materials.},
doi = {10.1021/acs.jpcc.7b12628},
journal = {Journal of Physical Chemistry. C},
number = 15,
volume = 122,
place = {United States},
year = {Fri Mar 23 00:00:00 EDT 2018},
month = {Fri Mar 23 00:00:00 EDT 2018}
}
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Figures / Tables:
Figure 1: Unit cell (black outline) of UiO-66(Zr) consisting of the metal-oxyhydroxy cluster and terephthalate linkers.16 Zirconium (blue), oxygen (red), carbon (gray), and hydrogen (white) constitute the full structure. Green and orange spheres represent the tetrahedral and octahedral pores, respectively.
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Works referenced in this record:
Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage
journal, January 2002
- Eddaoudi, Mohamed; Kim, Jaheon; Rosi, Nathaniel
- Science, Vol. 295, Issue 5554, p. 469-472
The Chemistry and Applications of Metal-Organic Frameworks
journal, August 2013
- Furukawa, H.; Cordova, K. E.; O'Keeffe, M.
- Science, Vol. 341, Issue 6149, p. 1230444-1230444
Grasping hydrogen adsorption and dynamics in metal–organic frameworks using 2 H solid-state NMR
journal, January 2016
- Lucier, Bryan E. G.; Zhang, Yue; Lee, Kelly J.
- Chemical Communications, Vol. 52, Issue 48
H 2 storage in isostructural UiO-67 and UiO-66 MOFs
journal, January 2012
- Chavan, Sachin; Vitillo, Jenny G.; Gianolio, Diego
- Phys. Chem. Chem. Phys., Vol. 14, Issue 5
Adsorptive separation on metal–organic frameworks in the liquid phase
journal, January 2014
- Van de Voorde, Ben; Bueken, Bart; Denayer, Joeri
- Chem. Soc. Rev., Vol. 43, Issue 16
Vanadium-Node-Functionalized UiO-66: A Thermally Stable MOF-Supported Catalyst for the Gas-Phase Oxidative Dehydrogenation of Cyclohexene
journal, June 2014
- Nguyen, Huong Giang T.; Schweitzer, Neil M.; Chang, Chih-Yi
- ACS Catalysis, Vol. 4, Issue 8, p. 2496-2500
A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability
journal, October 2008
- Cavka, Jasmina Hafizovic; Jakobsen, Søren; Olsbye, Unni
- Journal of the American Chemical Society, Vol. 130, Issue 42, p. 13850-13851
A facile synthesis of UiO-66, UiO-67 and their derivatives
journal, January 2013
- Katz, Michael J.; Brown, Zachary J.; Colón, Yamil J.
- Chemical Communications, Vol. 49, Issue 82
Facile Synthesis and Direct Activation of Zirconium Based Metal–Organic Frameworks from Acetone
journal, February 2017
- Ploskonka, Ann M.; Marzen, Stephanie E.; DeCoste, Jared B.
- Industrial & Engineering Chemistry Research, Vol. 56, Issue 6
In Situ Energy-Dispersive X-ray Diffraction for the Synthesis Optimization and Scale-up of the Porous Zirconium Terephthalate UiO-66
journal, February 2014
- Ragon, Florence; Horcajada, Patricia; Chevreau, Hubert
- Inorganic Chemistry, Vol. 53, Issue 5
Reverse Shape Selectivity in the Liquid-Phase Adsorption of Xylene Isomers in Zirconium Terephthalate MOF UiO-66
journal, March 2012
- Moreira, Mariana A.; Santos, João C.; Ferreira, Alexandre F. P.
- Langmuir, Vol. 28, Issue 13
Understanding Hydrocarbon Adsorption in the UiO-66 Metal–Organic Framework: Separation of (Un)saturated Linear, Branched, Cyclic Adsorbates, Including Stereoisomers
journal, June 2013
- Duerinck, T.; Bueno-Perez, R.; Vermoortele, F.
- The Journal of Physical Chemistry C, Vol. 117, Issue 24
Tailoring the Adsorption and Reaction Chemistry of the Metal–Organic Frameworks UiO-66, UiO-66-NH 2 , and HKUST-1 via the Incorporation of Molecular Guests
journal, June 2017
- Ploskonka, Ann M.; DeCoste, Jared B.
- ACS Applied Materials & Interfaces, Vol. 9, Issue 25
Tuning the Adsorption Properties of UiO-66 via Ligand Functionalization
journal, October 2012
- Cmarik, Gregory E.; Kim, Min; Cohen, Seth M.
- Langmuir, Vol. 28, Issue 44
Tuning the Surface Chemistry of Metal Organic Framework Nodes: Proton Topology of the Metal-Oxide-Like Zr 6 Nodes of UiO-66 and NU-1000
journal, November 2016
- Yang, Dong; Bernales, Varinia; Islamoglu, Timur
- Journal of the American Chemical Society, Vol. 138, Issue 46
Heterometallic Metal–Organic Frameworks of MOF-5 and UiO-66 Families: Insight from Computational Chemistry
journal, October 2016
- Trousselet, Fabien; Archereau, Aurélien; Boutin, Anne
- The Journal of Physical Chemistry C, Vol. 120, Issue 43
Superior removal of arsenic from water with zirconium metal-organic framework UiO-66
journal, November 2015
- Wang, Chenghong; Liu, Xinlei; Chen, J. Paul
- Scientific Reports, Vol. 5, Issue 1
Water adsorption in UiO-66: the importance of defects
journal, January 2014
- Ghosh, Pritha; Colón, Yamil J.; Snurr, Randall Q.
- Chem. Commun., Vol. 50, Issue 77
Active site engineering in UiO-66 type metal–organic frameworks by intentional creation of defects: a theoretical rationalization
journal, January 2015
- Vandichel, Matthias; Hajek, Julianna; Vermoortele, Frederik
- CrystEngComm, Vol. 17, Issue 2
Computational Exploration of the Water Concentration Dependence of the Proton Transport in the Porous UiO–66(Zr)–(CO 2 H) 2 Metal–Organic Framework
journal, February 2017
- Borges, Daiane Damasceno; Semino, Rocio; Devautour-Vinot, Sabine
- Chemistry of Materials, Vol. 29, Issue 4
Design of Lewis Pair-Functionalized Metal Organic Frameworks for CO 2 Hydrogenation
journal, March 2015
- Ye, Jingyun; Johnson, J. Karl
- ACS Catalysis, Vol. 5, Issue 5
Metal Nanocrystals Embedded in Single Nanocrystals of MOFs Give Unusual Selectivity as Heterogeneous Catalysts
journal, September 2014
- Na, Kyungsu; Choi, Kyung Min; Yaghi, Omar M.
- Nano Letters, Vol. 14, Issue 10
Nature of active sites on UiO-66 and beneficial influence of water in the catalysis of Fischer esterification
journal, August 2017
- Caratelli, Chiara; Hajek, Julianna; Cirujano, Francisco G.
- Journal of Catalysis, Vol. 352
Uncovering the Rotation and Translational Mobility of Benzene Confined in UiO-66 (Zr) Metal–Organic Framework by the 2 H NMR–QENS Experimental Toolbox
journal, February 2017
- Kolokolov, Daniil I.; Maryasov, Alexander G.; Ollivier, Jacques
- The Journal of Physical Chemistry C, Vol. 121, Issue 5
Adsorption and Diffusion of Light Hydrocarbons in UiO-66(Zr): A Combination of Experimental and Modeling Tools
journal, November 2014
- Ramsahye, N. A.; Gao, J.; Jobic, H.
- The Journal of Physical Chemistry C, Vol. 118, Issue 47
The origin of the measured chemical shift of 129 Xe in UiO-66 and UiO-67 revealed by DFT investigations
journal, January 2017
- Trepte, Kai; Schaber, Jana; Schwalbe, Sebastian
- Physical Chemistry Chemical Physics, Vol. 19, Issue 15
NMR relaxation and exchange in metal–organic frameworks for surface area screening
journal, March 2015
- Chen, Joseph J.; Mason, Jarad A.; Bloch, Eric D.
- Microporous and Mesoporous Materials, Vol. 205
Direct observation of ion dynamics in supercapacitor electrodes using in situ diffusion NMR spectroscopy
journal, February 2017
- Forse, Alexander C.; Griffin, John M.; Merlet, Céline
- Nature Energy, Vol. 2, Issue 3
Nuclear magnetic resonance study of ion adsorption on microporous carbide-derived carbon
journal, January 2013
- Forse, Alexander C.; Griffin, John M.; Wang, Hao
- Physical Chemistry Chemical Physics, Vol. 15, Issue 20
Towards Graphite: Magnetic Properties of Large Polybenzenoid Hydrocarbons †
journal, June 2003
- Moran, Damian; Stahl, Frank; Bettinger, Holger F.
- Journal of the American Chemical Society, Vol. 125, Issue 22
Magnetic Response of Single-Walled Carbon Nanotubes Induced by an External Magnetic Field
journal, December 2010
- Kibalchenko, Mikhail; Payne, Mike C.; Yates, Jonathan R.
- ACS Nano, Vol. 5, Issue 1
Selectivity of guest–host interactions in self-assembled hydrogen-bonded nanostructures observed by NMR
journal, January 2007
- Brunklaus, Gunther; Koch, Achim; Sebastiani, Daniel
- Physical Chemistry Chemical Physics, Vol. 9, Issue 32
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
journal, September 2005
- Chen, Zhongfang; Wannere, Chaitanya S.; Corminboeuf, Clémence
- Chemical Reviews, Vol. 105, Issue 10
Ring Current Effects: Factors Affecting the NMR Chemical Shift of Molecules Adsorbed on Porous Carbons
journal, March 2014
- Forse, Alexander C.; Griffin, John M.; Presser, Volker
- The Journal of Physical Chemistry C, Vol. 118, Issue 14
In situ NMR and electrochemical quartz crystal microbalance techniques reveal the structure of the electrical double layer in supercapacitors
journal, June 2015
- Griffin, John M.; Forse, Alexander C.; Tsai, Wan-Yu
- Nature Materials, Vol. 14, Issue 8
NMR Study of Ion Dynamics and Charge Storage in Ionic Liquid Supercapacitors
journal, May 2015
- Forse, Alexander C.; Griffin, John M.; Merlet, Céline
- Journal of the American Chemical Society, Vol. 137, Issue 22
An Investigation of Weak CH···O Hydrogen Bonds in Maltose Anomers by a Combination of Calculation and Experimental Solid-State NMR Spectroscopy
journal, July 2005
- Yates, Jonathan R.; Pham, Tran N.; Pickard, Chris J.
- Journal of the American Chemical Society, Vol. 127, Issue 29
Quantifying Weak Hydrogen Bonding in Uracil and 4-Cyano-4‘-ethynylbiphenyl: A Combined Computational and Experimental Investigation of NMR Chemical Shifts in the Solid State
journal, January 2008
- Uldry, Anne-Christine; Griffin, John M.; Yates, Jonathan R.
- Journal of the American Chemical Society, Vol. 130, Issue 3
Visualising crystal packing interactions in solid-state NMR: Concepts and applications
journal, October 2017
- Zilka, Miri; Sturniolo, Simone; Brown, Steven P.
- The Journal of Chemical Physics, Vol. 147, Issue 14
Solid-state NMR Studies of Host–Guest Interaction between UiO-67 and Light Alkane at Room Temperature
journal, June 2017
- Li, Jing; Li, Shenhui; Zheng, Anmin
- The Journal of Physical Chemistry C, Vol. 121, Issue 26
Geminal interproton coupling constants in some methyl derivatives
journal, January 1970
- Lacey, Mj; Macdonald, Cg; Pross, A.
- Australian Journal of Chemistry, Vol. 23, Issue 7
High resolution nuclear-magnetic-resonance spectra of hydrocarbon groupings: IV. ABC spectra of vinyl compounds
journal, July 1960
- Banwell, C. N.; Sheppard, N.
- Molecular Physics, Vol. 3, Issue 4
An examination of the13C NMR phenyl substituent effect in branched and non-branched alkyl systems
journal, May 1982
- Hearmon, R. A.
- Organic Magnetic Resonance, Vol. 19, Issue 1
Study of increasingly crowded phenylethanes by carbon-13 spectroscopy and molecular mechanics calculations
journal, November 1981
- Watkins, Michael I.; Olah, George A.
- Journal of the American Chemical Society, Vol. 103, Issue 22
Correlated defect nanoregions in a metal–organic framework
journal, June 2014
- Cliffe, Matthew J.; Wan, Wei; Zou, Xiaodong
- Nature Communications, Vol. 5, Issue 1
Modulator Effects on the Water-Based Synthesis of Zr/Hf Metal–Organic Frameworks: Quantitative Relationship Studies between Modulator, Synthetic Condition, and Performance
journal, March 2016
- Hu, Zhigang; Castano, Ioannina; Wang, Songnan
- Crystal Growth & Design, Vol. 16, Issue 4
Metal–Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts: NU-1000- and UiO-66-Supported Iridium Complexes
journal, June 2015
- Yang, Dong; Odoh, Samuel O.; Wang, Timothy C.
- Journal of the American Chemical Society, Vol. 137, Issue 23, p. 7391-7396
Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory
journal, April 2011
- Valenzano, Loredana; Civalleri, Bartolomeo; Chavan, Sachin
- Chemistry of Materials, Vol. 23, Issue 7, p. 1700-1718
Isoreticular synthesis and modification of frameworks with the UiO-66 topology
journal, January 2010
- Garibay, Sergio J.; Cohen, Seth M.
- Chemical Communications, Vol. 46, Issue 41, p. 7700-7702
Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal–Organic Frameworks
journal, October 2014
- Øien, Sigurd; Wragg, David; Reinsch, Helge
- Crystal Growth & Design, Vol. 14, Issue 11
Tuned to Perfection: Ironing Out the Defects in Metal–Organic Framework UiO-66
journal, July 2014
- Shearer, Greig C.; Chavan, Sachin; Ethiraj, Jayashree
- Chemistry of Materials, Vol. 26, Issue 14
Unusual and Highly Tunable Missing-Linker Defects in Zirconium Metal–Organic Framework UiO-66 and Their Important Effects on Gas Adsorption
journal, May 2013
- Wu, Hui; Chua, Yong Shen; Krungleviciute, Vaiva
- Journal of the American Chemical Society, Vol. 135, Issue 28
Surfaces of Solids. XII. An Absolute Method for the Determination of the Area of a Finely Divided Crystalline Solid
journal, August 1944
- Harkins, William D.; Jura, George
- Journal of the American Chemical Society, Vol. 66, Issue 8
Two‐dimensional spectroscopy. Application to nuclear magnetic resonance
journal, March 1976
- Aue, W. P.; Bartholdi, E.; Ernst, R. R.
- The Journal of Chemical Physics, Vol. 64, Issue 5
Chemical shift referencing in MAS solid state NMR
journal, June 2003
- Morcombe, Corey R.; Zilm, Kurt W.
- Journal of Magnetic Resonance, Vol. 162, Issue 2
Charting the mechanism and reactivity of zirconium oxalate with hydroxamate ligands using density functional theory: implications in new chelate design
journal, January 2014
- Holland, Jason P.; Vasdev, Neil
- Dalton Trans., Vol. 43, Issue 26
Diffusion in Liquids
journal, December 1959
- McCall, David W.; Douglass, Dean C.; Anderson, Ernest W.
- The Journal of Chemical Physics, Vol. 31, Issue 6
Structure and Dynamics of the Functionalized MOF Type UiO-66(Zr): NMR and Dielectric Relaxation Spectroscopies Coupled with DFT Calculations
journal, May 2012
- Devautour-Vinot, Sabine; Maurin, Guillaume; Serre, Christian
- Chemistry of Materials, Vol. 24, Issue 11
Probing the Dynamics of the Porous Zr Terephthalate UiO-66 Framework Using 2 H NMR and Neutron Scattering
journal, May 2012
- Kolokolov, D. I.; Stepanov, A. G.; Guillerm, V.
- The Journal of Physical Chemistry C, Vol. 116, Issue 22
Lattice simulation method to model diffusion and NMR spectra in porous materials
journal, March 2015
- Merlet, Céline; Forse, Alexander C.; Griffin, John M.
- The Journal of Chemical Physics, Vol. 142, Issue 9
NMR Study of Rotational Barriers and Conformational Preferences. II. d 11 ‐Cyclohexane
journal, October 1964
- Bovey, F. A.; Hood, F. P.; Anderson, E. W.
- The Journal of Chemical Physics, Vol. 41, Issue 7
Defect Engineering: Tuning the Porosity and Composition of the Metal–Organic Framework UiO-66 via Modulated Synthesis
journal, May 2016
- Shearer, Greig C.; Chavan, Sachin; Bordiga, Silvia
- Chemistry of Materials, Vol. 28, Issue 11
Role of Modulators in Controlling the Colloidal Stability and Polydispersity of the UiO-66 Metal–Organic Framework
journal, April 2017
- Morris, William; Wang, Shunzhi; Cho, David
- ACS Applied Materials & Interfaces, Vol. 9, Issue 39
Definitive Molecular Level Characterization of Defects in UiO-66 Crystals
journal, August 2015
- Trickett, Christopher A.; Gagnon, Kevin J.; Lee, Seungkyu
- Angewandte Chemie International Edition, Vol. 54, Issue 38
Host–Guest Interactions in Dealuminated HY Zeolite Probed by 13 C– 27 Al Solid-State NMR Spectroscopy
journal, August 2014
- Li, Shenhui; Pourpoint, Frédérique; Trébosc, Julien
- The Journal of Physical Chemistry Letters, Vol. 5, Issue 17
Theoretical and Experimental Study of the 13 C Chemical Shift Tensors of Acetone Complexed with Brønsted and Lewis Acids
journal, December 1998
- Barich, Dewey H.; Nicholas, John B.; Xu, Teng
- Journal of the American Chemical Society, Vol. 120, Issue 47
13 C Chemical Shift of Adsorbed Acetone for Measuring the Acid Strength of Solid Acids: A Theoretical Calculation Study
journal, June 2010
- Fang, Hanjun; Zheng, Anmin; Chu, Yueying
- The Journal of Physical Chemistry C, Vol. 114, Issue 29
Acidic Properties and Structure–Activity Correlations of Solid Acid Catalysts Revealed by Solid-State NMR Spectroscopy
journal, March 2016
- Zheng, Anmin; Li, Shenhui; Liu, Shang-Bin
- Accounts of Chemical Research, Vol. 49, Issue 4
Physical Organic Chemistry of Solid Acids: Lessons from in Situ NMR and Theoretical Chemistry
journal, June 1996
- Haw, James F.; Nicholas, John B.; Xu, Teng
- Accounts of Chemical Research, Vol. 29, Issue 6
Dynamic acidity in defective UiO-66
journal, January 2016
- Ling, Sanliang; Slater, Ben
- Chemical Science, Vol. 7, Issue 7
Evaluation of Brønsted acidity and proton topology in Zr- and Hf-based metal–organic frameworks using potentiometric acid–base titration
journal, January 2016
- Klet, Rachel C.; Liu, Yangyang; Wang, Timothy C.
- Journal of Materials Chemistry A, Vol. 4, Issue 4
One-dimensional alignment of strong Lewis acid sites in a porous coordination polymer
journal, January 2013
- Kajiwara, Takashi; Higuchi, Masakazu; Yuasa, Akihiro
- Chemical Communications, Vol. 49, Issue 89
A microporous metal–organic framework with high stability for GC separation of alcohols from water
journal, January 2012
- Borjigin, Tsolmon; Sun, Fuxing; Zhang, Jinlei
- Chemical Communications, Vol. 48, Issue 61
Computational Analysis of Solvent Effects in NMR Spectroscopy
journal, November 2009
- Dračínský, Martin; Bouř, Petr
- Journal of Chemical Theory and Computation, Vol. 6, Issue 1
Enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores
journal, June 2016
- Terrones, Jeronimo; Kiley, Patrick J.; Elliott, James A.
- Scientific Reports, Vol. 6, Issue 1
Hydrogen bond length and proton NMR chemical shifts in proteins
journal, September 1983
- Wagner, Gerhard; Pardi, Arthur; Wuethrich, Kurt
- Journal of the American Chemical Society, Vol. 105, Issue 18
Proton NMR Chemical Shift Behavior of Hydrogen-Bonded Amide Proton of Glycine-Containing Peptides and Polypeptides as Studied by ab initio MO Calculation
journal, August 2002
- Hori, S.; Yamauchi, K.; Kuroki, S.
- International Journal of Molecular Sciences, Vol. 3, Issue 8
Hydrogen Bonding Effects on the13C NMR Chemical Shift Tensors of Some Amino Acids in the Solid State
journal, September 1997
- Zheng, Guang; Wang, Liming; Hu, Jianzhi
- Magnetic Resonance in Chemistry, Vol. 35, Issue 9
Works referencing / citing this record:
Influence of Ligand Functionalization of UiO-66-Based Metal-Organic Frameworks When Used as Sorbents in Dispersive Solid-Phase Analytical Microextraction for Different Aqueous Organic Pollutants
journal, November 2018
- Taima-Mancera, Iván; Rocío-Bautista, Priscilla; Pasán, Jorge
- Molecules, Vol. 23, Issue 11
Influence of Ligand Functionalization of UiO-66-Based Metal-Organic Frameworks When Used as Sorbents in Dispersive Solid-Phase Analytical Microextraction for Different Aqueous Organic Pollutants
journal, November 2018
- Taima-Mancera, Iván; Rocío-Bautista, Priscilla; Pasán, Jorge
- Molecules, Vol. 23, Issue 11
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