Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines
Abstract
The ability of different ligands to attract a pendant amine is studied in a series of iron complexes.
- Authors:
-
[1];
[1];
[1];
[1];
- Center for Molecular Electrocatalysis, Pacific Northwest National Laboratory, Richland, USA
- Publication Date:
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1501691
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Dalton Transactions
- Additional Journal Information:
- Journal Name: Dalton Transactions Journal Volume: 48 Journal Issue: 15; Journal ID: ISSN 1477-9226
- Publisher:
- Royal Society of Chemistry (RSC)
- Country of Publication:
- United Kingdom
- Language:
- English
Citation Formats
Liao, Qian, Liu, Tianbiao, Johnson, Samantha I., Klug, Christina M., Wiedner, Eric S., Morris Bullock, R., and DuBois, Daniel L. Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines. United Kingdom: N. p., 2019.
Web. doi:10.1039/C9DT00708C.
Liao, Qian, Liu, Tianbiao, Johnson, Samantha I., Klug, Christina M., Wiedner, Eric S., Morris Bullock, R., & DuBois, Daniel L. Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines. United Kingdom. https://doi.org/10.1039/C9DT00708C
Liao, Qian, Liu, Tianbiao, Johnson, Samantha I., Klug, Christina M., Wiedner, Eric S., Morris Bullock, R., and DuBois, Daniel L. Tue .
"Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines". United Kingdom. https://doi.org/10.1039/C9DT00708C.
@article{osti_1501691,
title = {Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines},
author = {Liao, Qian and Liu, Tianbiao and Johnson, Samantha I. and Klug, Christina M. and Wiedner, Eric S. and Morris Bullock, R. and DuBois, Daniel L.},
abstractNote = {The ability of different ligands to attract a pendant amine is studied in a series of iron complexes.},
doi = {10.1039/C9DT00708C},
journal = {Dalton Transactions},
number = 15,
volume = 48,
place = {United Kingdom},
year = {2019},
month = {4}
}
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https://doi.org/10.1039/C9DT00708C
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Works referenced in this record:
Molecular Electrocatalysts for Oxidation of Hydrogen Using Earth-Abundant Metals: Shoving Protons Around with Proton Relays
journal, June 2015
- Bullock, R. Morris; Helm, Monte L.
- Accounts of Chemical Research, Vol. 48, Issue 7
468. The preparation and properties of some bivalent transition-metal tetrafluoroborate–methyl cyanide complexes
journal, January 1962
- Hathaway, B. J.; Holah, D. G.; Underhill, A. E.
- J. Chem. Soc., Vol. 0, Issue 0
Nitrite reduction by copper through ligand-mediated proton and electron transfer
journal, January 2015
- Moore, Cameron M.; Szymczak, Nathaniel K.
- Chemical Science, Vol. 6, Issue 6
Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe
journal, February 2001
- Martin, Jan M. L.; Sundermann, Andreas
- The Journal of Chemical Physics, Vol. 114, Issue 8
Comparison of Cobalt and Nickel Complexes with Sterically Demanding Cyclic Diphosphine Ligands: Electrocatalytic H 2 Production by [Co(P t Bu 2 N Ph 2 )(CH 3 CN) 3 ](BF 4 ) 2 †
journal, November 2010
- Wiedner, Eric S.; Yang, Jenny Y.; Dougherty, William G.
- Organometallics, Vol. 29, Issue 21
NMR properties of the complexes trans-[M(.eta.2-H2)(H)(PEt2CH2CH2PEt2)2]+ (M = Fe, Ru, Os). Intramolecular exchange of atoms between .eta.2-dihydrogen and hydride ligands
journal, June 1987
- Bautista, Maria; Earl, Kelly A.; Morris, Robert H.
- Journal of the American Chemical Society, Vol. 109, Issue 12
Neutral Transition Metal Hydrides as Acids in Hydrogen Bonding and Proton Transfer: Media Polarity and Specific Solvation Effects
journal, August 2010
- Levina, Vladislava A.; Filippov, Oleg A.; Gutsul, Evgenii I.
- Journal of the American Chemical Society, Vol. 132, Issue 32
Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes
journal, January 2012
- Seu, Candace S.; Appel, Aaron M.; Doud, Michael D.
- Energy & Environmental Science, Vol. 5, Issue 4
Catalytic N 2 Reduction to Silylamines and Thermodynamics of N 2 Binding at Square Planar Fe
journal, July 2017
- Prokopchuk, Demyan E.; Wiedner, Eric S.; Walter, Eric D.
- Journal of the American Chemical Society, Vol. 139, Issue 27
Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e – /4H + O 2 Reduction: Activation of O–O Bond by 2nd Sphere Hydrogen Bonding
journal, July 2018
- Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay
- Journal of the American Chemical Society, Vol. 140, Issue 30
Anion control of tautomeric equilibria: Fe–H vs. N–H influenced by NH⋯F hydrogen bonding
journal, January 2019
- Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone
- Chemical Science, Vol. 10, Issue 5
Studies of a Series of [Ni(P R 2 N Ph 2 ) 2 (CH 3 CN)] 2+ Complexes as Electrocatalysts for H 2 Production: Substituent Variation at the Phosphorus Atom of the P 2 N 2 Ligand
journal, November 2011
- Kilgore, Uriah J.; Stewart, Michael P.; Helm, Monte L.
- Inorganic Chemistry, Vol. 50, Issue 21
Density-functional exchange-energy approximation with correct asymptotic behavior
journal, September 1988
- Becke, A. D.
- Physical Review A, Vol. 38, Issue 6
NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist
journal, May 2010
- Fulmer, Gregory R.; Miller, Alexander J. M.; Sherden, Nathaniel H.
- Organometallics, Vol. 29, Issue 9
Stabilization of Nickel Complexes with Ni 0 ···H–N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands
journal, December 2011
- Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan
- Organometallics, Vol. 31, Issue 1
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
journal, May 2009
- Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
- The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
van der Waals Volumes and Radii
journal, March 1964
- Bondi, A.
- The Journal of Physical Chemistry, Vol. 68, Issue 3, p. 441-451
Through-Space Charge Interaction Substituent Effects in Molecular Catalysis Leading to the Design of the Most Efficient Catalyst of CO 2 -to-CO Electrochemical Conversion
journal, December 2016
- Azcarate, Iban; Costentin, Cyrille; Robert, Marc
- Journal of the American Chemical Society, Vol. 138, Issue 51
Designing electrochemically reversible H2 oxidation and production catalysts
journal, August 2018
- Dutta, Arnab; Appel, Aaron M.; Shaw, Wendy J.
- Nature Reviews Chemistry, Vol. 2, Issue 9
[Ni(Et 2 PCH 2 NMeCH 2 PEt 2 ) 2 ] 2+ as a Functional Model for Hydrogenases
journal, January 2003
- Curtis, Calvin J.; Miedaner, Alex; Ciancanelli, Rebecca
- Inorganic Chemistry, Vol. 42, Issue 1
Intermolecular Hydrogen Bonding between Neutral Transition Metal Hydrides (η 5 -C 5 H 5 )M(CO) 3 H (M = Mo, W) and Bases
journal, March 2006
- Belkova, Natalia V.; Gutsul, Evgenii I.; Filippov, Oleg A.
- Journal of the American Chemical Society, Vol. 128, Issue 11
Reversing the Tradeoff between Rate and Overpotential in Molecular Electrocatalysts for H 2 Production
journal, March 2018
- Klug, Christina M.; Cardenas, Allan Jay P.; Bullock, R. Morris
- ACS Catalysis, Vol. 8, Issue 4
Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions
journal, December 2010
- Thanthiriwatte, Kanchana S.; Hohenstein, Edward G.; Burns, Lori A.
- Journal of Chemical Theory and Computation, Vol. 7, Issue 1
Second sphere ligand modifications enable a recyclable catalyst for oxidant-free alcohol oxidation to carboxylates
journal, January 2017
- Dahl, Eric W.; Louis-Goff, Thomas; Szymczak, Nathaniel K.
- Chemical Communications, Vol. 53, Issue 14
Thermodynamic Properties of the Ni−H Bond in Complexes of the Type [HNi(P 2 R N 2 R ‘ ) 2 ](BF 4 ) and Evaluation of Factors That Control Catalytic Activity for Hydrogen Oxidation/Production
journal, July 2007
- Fraze, Kendra; Wilson, Aaron D.; Appel, Aaron M.
- Organometallics, Vol. 26, Issue 16
Production of H2 at fast rates using a nickel electrocatalyst in water–acetonitrile solutions
journal, January 2013
- Hoffert, Wesley A.; Roberts, John A. S.; Morris Bullock, R.
- Chemical Communications, Vol. 49, Issue 71
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
journal, October 1982
- Francl, Michelle M.; Pietro, William J.; Hehre, Warren J.
- The Journal of Chemical Physics, Vol. 77, Issue 7, p. 3654-3665
Incorporation of Hydrogen-Bonding Functionalities into the Second Coordination Sphere of Iron-Based Water-Oxidation Catalysts
journal, April 2013
- Hoffert, Wesley A.; Mock, Michael T.; Appel, Aaron M.
- European Journal of Inorganic Chemistry, Vol. 2013, Issue 22-23
Incorporating Peptides in the Outer-Coordination Sphere of Bioinspired Electrocatalysts for Hydrogen Production
journal, May 2011
- Jain, Avijita; Lense, Sheri; Linehan, John C.
- Inorganic Chemistry, Vol. 50, Issue 9
Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines
journal, August 2014
- Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.
- ACS Catalysis, Vol. 4, Issue 9
Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H 2
journal, May 2015
- Liu, Tianbiao; Liao, Qian; O’Hagan, Molly
- Organometallics, Vol. 34, Issue 12
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
journal, September 1988
- Reed, Alan E.; Curtiss, Larry A.; Weinhold, Frank
- Chemical Reviews, Vol. 88, Issue 6
Hydrogen and Dihydrogen Bonds in the Reactions of Metal Hydrides
journal, June 2016
- Belkova, Natalia V.; Epstein, Lina M.; Filippov, Oleg A.
- Chemical Reviews, Vol. 116, Issue 15
Development of Molecular Electrocatalysts for Energy Storage
journal, February 2014
- DuBois, Daniel L.
- Inorganic Chemistry, Vol. 53, Issue 8
Synthesis and Characterization of Water-Soluble [Pd(triphosphine)(CH3CN)](BF4)2 Complexes for CO2 Reduction
journal, March 1995
- Herring, Andrew M.; Steffey, Bryan D.; Miedaner, Alex
- Inorganic Chemistry, Vol. 34, Issue 5
Interaction between [(η5-C5Me5)2 OsH]+PF6− and nitrogen or oxygen bases. Hydrogen bonds of the type [OsH]+ ⋯ B
journal, April 1993
- Epstein, L. M.; Shubina, E. S.; Krylov, A. N.
- Journal of Organometallic Chemistry, Vol. 447, Issue 2
Effect of the damping function in dispersion corrected density functional theory
journal, March 2011
- Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars
- Journal of Computational Chemistry, Vol. 32, Issue 7
Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO 2 Reduction
journal, February 2018
- Chapovetsky, Alon; Welborn, Matthew; Luna, John M.
- ACS Central Science, Vol. 4, Issue 3
Electocatalytic Water Oxidation by Cobalt(III) Hangman β-Octafluoro Corroles
journal, June 2011
- Dogutan, Dilek K.; McGuire, Robert; Nocera, Daniel G.
- Journal of the American Chemical Society, Vol. 133, Issue 24
Mechanism of the Electrocatalytic Reduction of Protons with Diaryldithiolene Cobalt Complexes
journal, June 2014
- Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin
- Journal of the American Chemical Society, Vol. 136, Issue 26
Nickel phosphine catalysts with pendant amines for electrocatalytic oxidation of alcohols
journal, January 2015
- Weiss, Charles J.; Wiedner, Eric S.; Roberts, John A. S.
- Chemical Communications, Vol. 51, Issue 28
Combined Spectroscopic and Electrochemical Detection of a Ni I ⋅⋅⋅HN Bonding Interaction with Relevance to Electrocatalytic H 2 Production
journal, June 2015
- Kochem, Amélie; O'Hagan, Molly; Wiedner, Eric S.
- Chemistry - A European Journal, Vol. 21, Issue 29
Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H 2 Production
journal, June 2014
- Fang, Ming; Wiedner, Eric S.; Dougherty, William G.
- Organometallics, Vol. 33, Issue 20
An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen
journal, February 2013
- Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris
- Nature Chemistry, Vol. 5, Issue 3
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
journal, June 1986
- Perdew, John P.
- Physical Review B, Vol. 33, Issue 12
The roles of the first and second coordination spheres in the design of molecular catalysts for H 2 production and oxidation
journal, January 2009
- Rakowski DuBois, M.; DuBois, Daniel L.
- Chem. Soc. Rev., Vol. 38, Issue 1
Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation
journal, November 2013
- Franz, James A.; O’Hagan, Molly; Ho, Ming-Hsun
- Organometallics, Vol. 32, Issue 23
A Local Proton Source Enhances CO 2 Electroreduction to CO by a Molecular Fe Catalyst
journal, October 2012
- Costentin, Cyrille; Drouet, Samuel; Robert, Marc
- Science, Vol. 338, Issue 6103
Nature of hydrogen interactions with Ni(II) complexes containing cyclic phosphine ligands with pendant nitrogen bases
journal, March 2007
- Wilson, A. D.; Shoemaker, R. K.; Miedaner, A.
- Proceedings of the National Academy of Sciences, Vol. 104, Issue 17
Electrocatalytic Oxidation of Formate by [Ni(P R 2 N R′ 2 ) 2 (CH 3 CN)] 2+ Complexes
journal, August 2011
- Galan, Brandon R.; Schöffel, Julia; Linehan, John C.
- Journal of the American Chemical Society, Vol. 133, Issue 32
Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere
journal, June 2013
- Yang, Jenny Y.; Smith, Stuart E.; Liu, Tianbiao
- Journal of the American Chemical Society, Vol. 135, Issue 26
A rare terminal dinitrogen complex of chromium
journal, January 2011
- Mock, Michael T.; Chen, Shentan; Rousseau, Roger
- Chemical Communications, Vol. 47, Issue 44
Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays
journal, January 2006
- Wilson, Aaron D.; Newell, Rachel H.; McNevin, Michael J.
- Journal of the American Chemical Society, Vol. 128, Issue 1
Investigating the Role of the Outer-Coordination Sphere in [Ni(P Ph 2 N Ph-R 2 ) 2 ] 2+ Hydrogenase Mimics
journal, June 2012
- Jain, Avijita; Reback, Matthew L.; Lindstrom, Mary Lou
- Inorganic Chemistry, Vol. 51, Issue 12
A bioinspired iron catalyst for nitrate and perchlorate reduction
journal, November 2016
- Ford, Courtney L.; Park, Yun Ji; Matson, Ellen M.
- Science, Vol. 354, Issue 6313
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006
- Grimme, Stefan
- Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H 2
journal, March 2012
- Liu, Tianbiao; Chen, Shentan; O’Hagan, Molly J.
- Journal of the American Chemical Society, Vol. 134, Issue 14
Infrared detection of M–H ⋯ OPPh 3 hydrogen bonds
journal, January 1995
- Peris, Eduardo; Crabtree, Robert H.
- J. Chem. Soc., Chem. Commun., Issue 21
Mechanistic Insights into Catalytic H 2 Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base
journal, April 2009
- Yang, Jenny Y.; Bullock, R. Morris; Shaw, Wendy J.
- Journal of the American Chemical Society, Vol. 131, Issue 16
Electrocatalytic Hydrogen Production by a Nickel Complex Containing a Tetradentate Phosphine Ligand
journal, October 2018
- Klug, Christina M.; Dougherty, William G.; Kassel, W. Scott
- Organometallics, Vol. 38, Issue 6
Positional effects of second-sphere amide pendants on electrochemical CO 2 reduction catalyzed by iron porphyrins
journal, January 2018
- Nichols, Eva M.; Derrick, Jeffrey S.; Nistanaki, Sepand K.
- Chemical Science, Vol. 9, Issue 11
Syntheses and Structural Characterizations of Iron(II) Complexes Containing Cyclic Diphosphine Ligands with Positioned Pendant Nitrogen Bases
journal, September 2007
- Jacobsen, George M.; Shoemaker, Richard K.; McNevin, Michael J.
- Organometallics, Vol. 26, Issue 20
Role of the Secondary Coordination Sphere in Metal-Mediated Dioxygen Activation
journal, April 2010
- Shook, Ryan L.; Borovik, A. S.
- Inorganic Chemistry, Vol. 49, Issue 8
Electrochemical Reduction of CO2 Catalyzed by a Dinuclear Palladium Complex Containing a Bridging Hexaphosphine Ligand: Evidence for Cooperativity
journal, October 1995
- Steffey, Bryan D.; Curtis, Calvin J.; DuBois, Daniel L.
- Organometallics, Vol. 14, Issue 10
Synthesis, Structures, and Reactions of Manganese Complexes Containing Diphosphine Ligands with Pendant Amines
journal, October 2010
- Welch, Kevin D.; Dougherty, William G.; Kassel, W. Scott
- Organometallics, Vol. 29, Issue 20
Effect of Ligand Modification on the Mechanism of Electrocatalytic Hydrogen Production by Ni(pyridinethiolate) 3 – Derivatives
journal, February 2018
- Virca, C. N.; Lohmolder, J. R.; Tsang, J. B.
- The Journal of Physical Chemistry A, Vol. 122, Issue 11
The Role of the Second Coordination Sphere of [Ni(P Cy 2 N Bz 2 ) 2 ](BF 4 ) 2 in Reversible Carbon Monoxide Binding
journal, January 2008
- Wilson, Aaron D.; Fraze, Kendra; Twamley, Brendan
- Journal of the American Chemical Society, Vol. 130, Issue 3
The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes
journal, April 2012
- Raugei, Simone; Chen, Shentan; Ho, Ming-Hsun
- Chemistry - A European Journal, Vol. 18, Issue 21
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
journal, March 1972
- Hehre, W. J.; Ditchfield, R.; Pople, J. A.
- The Journal of Chemical Physics, Vol. 56, Issue 5, p. 2257-2261