Halide anion discrimination by a tripodal hydroxylamine ligand in gas and condensed phases
Abstract
The binding of halide anions with a tripodal hydroxylamine ligand studied in gas (mass spectrometry and DFT methods) and condensed phases revealed notable agreement.
- Authors:
-
[1];
[3];
[3];
[3];
[2];
[1]
- Univ. of Pennsylvania, Philadelphia, PA (United States)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Actinide Science & Technology (CAST); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1631609
- Alternate Identifier(s):
- OSTI ID: 1560231
- Grant/Contract Number:
- AC02-05CH11231; SC0016568
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP
- Additional Journal Information:
- Journal Volume: 21; Journal Issue: 36; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Cheisson, Thibault, Jian, Jiwen, Su, Jing, Eaton, Teresa M., Gau, Michael R., Carroll, Patrick J., Batista, Enrique R., Yang, Ping, Gibson, John K., and Schelter, Eric J. Halide anion discrimination by a tripodal hydroxylamine ligand in gas and condensed phases. United States: N. p., 2019.
Web. doi:10.1039/c9cp03764k.
Cheisson, Thibault, Jian, Jiwen, Su, Jing, Eaton, Teresa M., Gau, Michael R., Carroll, Patrick J., Batista, Enrique R., Yang, Ping, Gibson, John K., & Schelter, Eric J. Halide anion discrimination by a tripodal hydroxylamine ligand in gas and condensed phases. United States. https://doi.org/10.1039/c9cp03764k
Cheisson, Thibault, Jian, Jiwen, Su, Jing, Eaton, Teresa M., Gau, Michael R., Carroll, Patrick J., Batista, Enrique R., Yang, Ping, Gibson, John K., and Schelter, Eric J. Mon .
"Halide anion discrimination by a tripodal hydroxylamine ligand in gas and condensed phases". United States. https://doi.org/10.1039/c9cp03764k. https://www.osti.gov/servlets/purl/1631609.
@article{osti_1631609,
title = {Halide anion discrimination by a tripodal hydroxylamine ligand in gas and condensed phases},
author = {Cheisson, Thibault and Jian, Jiwen and Su, Jing and Eaton, Teresa M. and Gau, Michael R. and Carroll, Patrick J. and Batista, Enrique R. and Yang, Ping and Gibson, John K. and Schelter, Eric J.},
abstractNote = {The binding of halide anions with a tripodal hydroxylamine ligand studied in gas (mass spectrometry and DFT methods) and condensed phases revealed notable agreement.},
doi = {10.1039/c9cp03764k},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 36,
volume = 21,
place = {United States},
year = {2019},
month = {8}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 1 work
Citation information provided by
Web of Science
Web of Science
Figures / Tables:
Scheme 1: Structure and characteristics of H3TriNOx (L) and the halide anions considered in this work. Ionic radii according to Shannon; electronegativities ($\bar{𝜒}$) according to Rahm.
All figures and tables
(11 total)
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Review of the Scientific Understanding of Radioactive Waste at the U.S. DOE Hanford Site
journal, January 2018
- Peterson, Reid A.; Buck, Edgar C.; Chun, Jaehun
- Environmental Science & Technology, Vol. 52, Issue 2
Kinetic Method of Making Thermochemical Determinations: Advances and Applications
journal, July 1998
- Cooks, R. Graham; Wong, Philip S. H.
- Accounts of Chemical Research, Vol. 31, Issue 7
Anion Receptor Design: Exploiting Outer-Sphere Coordination Chemistry To Obtain High Selectivity for Chloridometalates over Chloride
journal, August 2015
- Carson, Innis; MacRuary, Kirstian J.; Doidge, Euan D.
- Inorganic Chemistry, Vol. 54, Issue 17
Gas-phase lanthanide chloride clusters: relationships among ESI abundances and DFT structures and energetics
journal, January 2012
- Rutkowski, Philip X.; Michelini, Maria C.; Gibson, John K.
- Physical Chemistry Chemical Physics, Vol. 14, Issue 6
Supramolecular Chemistry of Anionic Dimers, Trimers, Tetramers, and Clusters
journal, January 2018
- He, Qing; Tu, Peiyu; Sessler, Jonathan L.
- Chem, Vol. 4, Issue 1
Anion-Binding Macrocycles Operate Beyond the Electrostatic Regime: Interaction Distances Matter
journal, September 2018
- Sengupta, Arkajyoti; Liu, Yun; Flood, Amar H.
- Chemistry - A European Journal, Vol. 24, Issue 54
Addressing a Common Misconception: Ammonium Acetate as Neutral pH “Buffer” for Native Electrospray Mass Spectrometry
journal, July 2017
- Konermann, Lars
- Journal of The American Society for Mass Spectrometry, Vol. 28, Issue 9
Anion Binding in Solution: Beyond the Electrostatic Regime
journal, September 2017
- Liu, Yun; Sengupta, Arkajyoti; Raghavachari, Krishnan
- Chem, Vol. 3, Issue 3
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976
- Shannon, R. D.
- Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767
Effects of anions on the zwitterion stability of Glu, His and Arg investigated by IRMPD spectroscopy and theory
journal, November 2010
- O’Brien, Jeremy T.; Prell, James S.; Berden, Giel
- International Journal of Mass Spectrometry, Vol. 297, Issue 1-3
Design and Function of Pre-organised Outer-Sphere Amidopyridyl Extractants for Zinc(II) and Cobalt(II) Chlorometallates: The Role of CH Hydrogen Bonds
journal, May 2012
- Ellis, Ross J.; Chartres, Jy; Henderson, David K.
- Chemistry - A European Journal, Vol. 18, Issue 25
Tris-triazolium Salts as Anion Receptors and as Precursors for the Preparation of Cylinder-like Coordination Cages
journal, January 2019
- AL-Shnani, Fadi; Guisado-Barrios, Gregorio; Sainz, Daniel
- Organometallics, Vol. 38, Issue 3
Structure and energetics of gas phase halogen-bonding in mono-, bi-, and tri-dentate anion receptors as studied by BIRD
journal, January 2013
- Gillis, Elizabeth A. L.; Demireva, Maria; Sarwar, Mohammed G.
- Physical Chemistry Chemical Physics, Vol. 15, Issue 20
Intermolecular interactions and proton transfer in the hydrogen halide–superoxide anion complexes
journal, January 2016
- Lee, Sebastian J. R.; Mullinax, J. Wayne; Schaefer, Henry F.
- Physical Chemistry Chemical Physics, Vol. 18, Issue 8
Tetrapositive Plutonium, Neptunium, Uranium, and Thorium Coordination Complexes: Chemistry Revealed by Electron Transfer and Collision Induced Dissociation
journal, April 2014
- Gong, Yu; Tian, Guoxin; Rao, Linfeng
- The Journal of Physical Chemistry A, Vol. 118, Issue 15
An international initiative on long-term behavior of high-level nuclear waste glass
journal, June 2013
- Gin, S.; Abdelouas, A.; Criscenti, L. J.
- Materials Today, Vol. 16, Issue 6
Anion Recognition in Water: Recent Advances from a Supramolecular and Macromolecular Perspective
journal, November 2015
- Langton, Matthew J.; Serpell, Christopher J.; Beer, Paul D.
- Angewandte Chemie International Edition, Vol. 55, Issue 6
An Ab Initio and Density Functional Theory Investigation of the Structures and Energetics of Halide Ion−Alcohol Complexes in the Gas Phase
journal, August 2000
- Bogdanov, B.; McMahon, T. B.
- The Journal of Physical Chemistry A, Vol. 104, Issue 33
Strong and Selective Anion Binding within the Central Cavity of Molecular Knots and Links
journal, July 2015
- Ayme, Jean-François; Beves, Jonathon E.; Campbell, Christopher J.
- Journal of the American Chemical Society, Vol. 137, Issue 31
Halide Abstraction from Halogenated Acetate Ligands by Actinyls: A Competition between Bond Breaking and Bond Making
journal, March 2015
- Dau, Phuong D.; Gibson, John K.
- The Journal of Physical Chemistry A, Vol. 119, Issue 13
An Operationally Simple Method for Separating the Rare-Earth Elements Neodymium and Dysprosium
journal, May 2015
- Bogart, Justin A.; Lippincott, Connor A.; Carroll, Patrick J.
- Angewandte Chemie International Edition, Vol. 54, Issue 28
A molecular basis to rare earth separations for recycling: tuning the TriNOx ligand properties for improved performance
journal, January 2018
- Cole, Bren E.; Falcones, Ingemar B.; Cheisson, Thibault
- Chemical Communications, Vol. 54, Issue 73
A Tetrapositive Metal Ion in the Gas Phase: Thorium(IV) Coordinated by Neutral Tridentate Ligands
journal, May 2013
- Gong, Yu; Hu, Han-Shi; Tian, Guoxin
- Angewandte Chemie International Edition, Vol. 52, Issue 27
The 3D quadrupole ion trap mass spectrometer as a complete chemical laboratory for fundamental gas-phase studies of metal mediated chemistry
journal, January 2006
- O'Hair, Richard A. J.
- Chemical Communications, Issue 14
Ageing of a phosphate ceramic used to immobilize chloride contaminated actinide waste
journal, March 2009
- Metcalfe, B. L.; Donald, I. W.; Fong, S. K.
- Journal of Nuclear Materials, Vol. 385, Issue 2
Development of a glass-encapsulated calcium phosphate wasteform for the immobilization of actinide and halide containing radioactive wastes from the pyrochemical reprocessing of plutonium metal
journal, October 2007
- Fong, S. K.; Donald, I. W.; Metcalfe, B. L.
- Journal of Alloys and Compounds, Vol. 444-445
Bond Dissociation Energies of Organic Molecules
journal, April 2003
- Blanksby, Stephen J.; Ellison, G. Barney
- Accounts of Chemical Research, Vol. 36, Issue 4
Experimental and Theoretical Studies on Halide Binding with a p -Xylyl-Based Azamacrocycle
journal, January 2015
- Ahmed, Lucky; Rhaman, Md Mhahabubur; Mendy, John S.
- The Journal of Physical Chemistry A, Vol. 119, Issue 2
Silyl Transfer Pathway to a Ce(IV) Imido Complex
journal, September 2018
- Cheisson, Thibault; Solola, Lukman A.; Gau, Michael R.
- Organometallics, Vol. 37, Issue 23
Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy
journal, November 2018
- Rahm, Martin; Zeng, Tao; Hoffmann, Roald
- Journal of the American Chemical Society, Vol. 141, Issue 1
The theory of uranium enrichment by the gas centrifuge
journal, January 1981
- Olander, Donald R.
- Progress in Nuclear Energy, Vol. 8, Issue 1
Metal-ligand solution equilibria studied by electrospray ionization mass spectrometry: effect of instrumental parameters
journal, January 2009
- Di Marco, Valerio B.; Bombi, G. Giorgio; Zambon, Stefano
- Journal of Mass Spectrometry, Vol. 44, Issue 1
Nuclear Waste Vitrification in the United States: Recent Developments and Future Options: Nuclear Waste Vitrification in the United States.
journal, September 2010
- Vienna, John D.
- International Journal of Applied Glass Science, Vol. 1, Issue 3
Mass spectrometric approaches to the reactivity of transient neutrals
journal, January 1998
- A. Schalley, Christoph; Hornung, Georg; Schröder, Detlef
- Chemical Society Reviews, Vol. 27, Issue 2
Recognizing the Limited Applicability of Job Plots in Studying Host–Guest Interactions in Supramolecular Chemistry
journal, February 2016
- Ulatowski, Filip; Dąbrowa, Kajetan; Bałakier, Tomasz
- The Journal of Organic Chemistry, Vol. 81, Issue 5
Selective Recognition of Halide Anions by Calix[4]pyrrole: A Detailed Thermodynamic Study
journal, July 2003
- Danil de Namor, Angela F.; Shehab, Mohammed
- The Journal of Physical Chemistry B, Vol. 107, Issue 26
Perturbations produced by electrospray ionization mass spectrometry in the speciation of aluminium(III)/1,6-dimethyl-4-hydroxy-3-pyridinecarboxylate aqueous solutions
journal, April 2010
- Di Marco, Valerio B.; Raveane, Luca; Dean, Annalisa
- Rapid Communications in Mass Spectrometry, Vol. 24, Issue 7
The thermochemistry of formic acid–halide anion clusters
journal, April 1999
- Walker, Barry W.; Sunderlin, Lee S.
- International Journal of Mass Spectrometry, Vol. 184, Issue 2-3
Update 1 of: Strong Ionic Hydrogen Bonds
journal, June 2012
- Meot-Ner (Mautner), Michael
- Chemical Reviews, Vol. 112, Issue 10
Halide adducts of 1,3,5-trinitrobenzene: Vibrational signatures and role of anion–π interactions
journal, November 2013
- Chiavarino, Barbara; Crestoni, Maria Elisa; Maître, Philippe
- International Journal of Mass Spectrometry, Vol. 354-355
Competitive Halide Binding by Halogen Versus Hydrogen Bonding: Bis-triazole Pyridinium
journal, July 2015
- Nepal, Binod; Scheiner, Steve
- Chemistry - A European Journal, Vol. 21, Issue 38
Macrobicyclic amines. III. Encapsulation of halide ions by in,in-1,(k + 2)-diazabicyclo[k.l.m.]alkane ammonium ions
journal, April 1968
- Park, C. H.; Simmons, H. E.
- Journal of the American Chemical Society, Vol. 90, Issue 9
Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy
journal, January 2018
- Corinti, Davide; Gregori, Barbara; Guidoni, Leonardo
- Physical Chemistry Chemical Physics, Vol. 20, Issue 6
Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry
journal, January 2019
- Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.
- ACS Sustainable Chemistry & Engineering, Vol. 7, Issue 5
Pressure and Density Series Equations of State for Steam as Derived from the Haar–Gallagher–Kell Formulation
journal, January 1988
- Dobbins, R. A.; Mohammed, K.; Sullivan, D. A.
- Journal of Physical and Chemical Reference Data, Vol. 17, Issue 1
Materials and processes for the effective capture and immobilization of radioiodine: A review
journal, March 2016
- Riley, Brian J.; Vienna, John D.; Strachan, Denis M.
- Journal of Nuclear Materials, Vol. 470
Retention of Sulfate in Savannah River Site High-Level Radioactive Waste Glass: Retention of Sulfate in SRS HLW Glass
journal, November 2010
- Billings, Amanda L.; Fox, Kevin M.
- International Journal of Applied Glass Science, Vol. 1, Issue 4
Electro-kinetic Separation of Rare Earth Elements Using a Redox-Active Ligand
journal, September 2017
- Fang, Huayi; Cole, Bren E.; Qiao, Yusen
- Angewandte Chemie International Edition, Vol. 56, Issue 43
Applications of Supramolecular Anion Recognition
journal, May 2015
- Busschaert, Nathalie; Caltagirone, Claudia; Van Rossom, Wim
- Chemical Reviews, Vol. 115, Issue 15
Comment on “Lewis acidic ionic liquids of crown ether complex cations: preparation and applications in organic reactions” by Y. Liang, J. Wang, C. Cheng and H. Jing, RSC Adv. , 2016, 6 , 93546
journal, January 2017
- Swadźba-Kwaśny, Małgorzata
- RSC Advances, Vol. 7, Issue 82
Spectroscopic, Structural, and Theoretical Studies of Halide Complexes with a Urea-Based Tripodal Receptor
journal, March 2012
- Pramanik, Avijit; Powell, Douglas R.; Wong, Bryan M.
- Inorganic Chemistry, Vol. 51, Issue 7
Electrospray: From ions in solution to ions in the gas phase, what we know now
journal, November 2009
- Kebarle, Paul; Verkerk, Udo H.
- Mass Spectrometry Reviews, Vol. 28, Issue 6
Electrospray interface for liquid chromatographs and mass spectrometers
journal, March 1985
- Whitehouse, Craig M.; Dreyer, Robert N.; Yamashita, Masamichi.
- Analytical Chemistry, Vol. 57, Issue 3
Exploiting outer-sphere interactions to enhance metal recovery by solvent extraction
journal, January 2013
- Turkington, Jennifer R.; Bailey, Philip J.; Love, Jason B.
- Chemical Communications, Vol. 49, Issue 19
Coordination Chemistry of a Strongly-Donating Hydroxylamine with Early Actinides: An Investigation of Redox Properties and Electronic Structure
journal, March 2018
- McSkimming, Alex; Su, Jing; Cheisson, Thibault
- Inorganic Chemistry, Vol. 57, Issue 8
Organometallic chemistry in the gas phase
journal, September 1991
- Eller, Karsten.; Schwarz, Helmut.
- Chemical Reviews, Vol. 91, Issue 6
The nature of ammonium and methylammonium halides in the vapour phase: hydrogen bonding versus proton transfer
journal, January 1993
- Legon, A. C.
- Chemical Society Reviews, Vol. 22, Issue 3
Anion cryptates: highly stable and selective macrotricyclic anion inclusion complexes
journal, September 1976
- Graf, Ernest; Lehn, Jean M.
- Journal of the American Chemical Society, Vol. 98, Issue 20
Halogen bonding anion recognition
journal, January 2016
- Brown, Asha; Beer, Paul D.
- Chemical Communications, Vol. 52, Issue 56
Anion Receptor Chemistry
journal, September 2016
- Gale, Philip A.; Howe, Ethan N. W.; Wu, Xin
- Chem, Vol. 1, Issue 3
Determining association constants from titration experiments in supramolecular chemistry
journal, January 2011
- Thordarson, Pall
- Chem. Soc. Rev., Vol. 40, Issue 3
Rare earth elements: Mendeleev’s bane, modern marvels
journal, January 2019
- Cheisson, Thibault; Schelter, Eric J.
- Science, Vol. 363, Issue 6426
Gas-phase chemistry of molecular containers
journal, January 2015
- Qi, Zhenhui; Heinrich, Thomas; Moorthy, Suresh
- Chemical Society Reviews, Vol. 44, Issue 2
Redox-Driven Chelation and Kinetic Separation of Select Rare Earths Using a Tripodal Nitroxide Proligand
journal, June 2019
- Cole, Bren E.; Cheisson, Thibault; Higgins, Robert F.
- Inorganic Chemistry
Proton Transfer in Th(IV) Hydrate Clusters: A Link to Hydrolysis of Th(OH) 2 2+ to Th(OH) 3 + in Aqueous Solution
journal, January 2013
- Rutkowski, Philip X.; Michelini, Maria del Carmen; Gibson, John K.
- The Journal of Physical Chemistry A, Vol. 117, Issue 2
Hydrogen bonds in gas-phase clusters between halide ions and olefins
journal, February 2001
- Hiraoka, Kenzo; Katsuragawa, Jun; Sugiyama, Teruaki
- Journal of the American Society for Mass Spectrometry, Vol. 12, Issue 2
Failure of ESI Spectra to Represent Metal-Complex Solution Composition: A Study of Lanthanide–Carboxylate Complexes
journal, January 2014
- McDonald, Luther W.; Campbell, James A.; Clark, Sue B.
- Analytical Chemistry, Vol. 86, Issue 2
Electro-kinetic Separation of Rare Earth Elements Using a Redox-Active Ligand
journal, September 2017
- Fang, Huayi; Cole, Bren E.; Qiao, Yusen
- Angewandte Chemie, Vol. 129, Issue 43
Bond Dissociation Energies of Organic Molecules
journal, June 2003
- Blanksby, Stephen J.; Ellison, G. Barney
- ChemInform, Vol. 34, Issue 24
An Operationally Simple Method for Separating the Rare-Earth Elements Neodymium and Dysprosium
journal, May 2015
- Bogart, Justin A.; Lippincott, Connor A.; Carroll, Patrick J.
- Angewandte Chemie, Vol. 127, Issue 28
A Tetrapositive Metal Ion in the Gas Phase: Thorium(IV) Coordinated by Neutral Tridentate Ligands
journal, May 2013
- Gong, Yu; Hu, Han-Shi; Tian, Guoxin
- Angewandte Chemie, Vol. 125, Issue 27
Spectroscopic, Structural, and Theoretical Studies of Halide Complexes with a Urea-based Tripodal Receptor
text, January 2013
- Pramanik, Avijit; Powell, Douglas R.; Wong, Bryan M.
- arXiv
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.