skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines

Journal Article · · Dalton Transactions
DOI:https://doi.org/10.1039/C9DT00708C· OSTI ID:1501691

The ability of different ligands to attract a pendant amine is studied in a series of iron complexes.

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI ID:
1501691
Journal Information:
Dalton Transactions, Journal Name: Dalton Transactions Vol. 48 Journal Issue: 15; ISSN 1477-9226
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English
Citation Metrics:
Cited by: 10 works
Citation information provided by
Web of Science

References (69)

Molecular Electrocatalysts for Oxidation of Hydrogen Using Earth-Abundant Metals: Shoving Protons Around with Proton Relays journal June 2015
Nitrite reduction by copper through ligand-mediated proton and electron transfer journal January 2015
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
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
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
Neutral Transition Metal Hydrides as Acids in Hydrogen Bonding and Proton Transfer: Media Polarity and Specific Solvation Effects journal August 2010
Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes journal January 2012
Catalytic N 2 Reduction to Silylamines and Thermodynamics of N 2 Binding at Square Planar Fe journal July 2017
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
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
Density-functional exchange-energy approximation with correct asymptotic behavior journal September 1988
Metals and hydrogen bonds journal January 2003
NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist journal May 2010
Stabilization of Nickel Complexes with Ni 0 ···H–N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands journal December 2011
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
  • Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396 https://doi.org/10.1021/jp810292n
journal May 2009
van der Waals Volumes and Radii journal March 1964
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
Designing electrochemically reversible H2 oxidation and production catalysts journal August 2018
[Ni(Et 2 PCH 2 NMeCH 2 PEt 2 ) 2 ] 2+ as a Functional Model for Hydrogenases journal January 2003
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
Reversing the Tradeoff between Rate and Overpotential in Molecular Electrocatalysts for H 2 Production journal March 2018
Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions journal December 2010
Second sphere ligand modifications enable a recyclable catalyst for oxidant-free alcohol oxidation to carboxylates journal January 2017
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
Production of H2 at fast rates using a nickel electrocatalyst in water–acetonitrile solutions journal January 2013
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements journal October 1982
Incorporation of Hydrogen-Bonding Functionalities into the Second Coordination Sphere of Iron-Based Water-Oxidation Catalysts journal April 2013
Incorporating Peptides in the Outer-Coordination Sphere of Bioinspired Electrocatalysts for Hydrogen Production journal May 2011
Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines journal August 2014
Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H 2 journal May 2015
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint journal September 1988
Hydrogen and Dihydrogen Bonds in the Reactions of Metal Hydrides journal June 2016
Development of Molecular Electrocatalysts for Energy Storage journal February 2014
Synthesis and Characterization of Water-Soluble [Pd(triphosphine)(CH3CN)](BF4)2 Complexes for CO2 Reduction journal March 1995
Interaction between [(η5-C5Me5)2 OsH]+PF6− and nitrogen or oxygen bases. Hydrogen bonds of the type [OsH]+ ⋯ B journal April 1993
Effect of the damping function in dispersion corrected density functional theory journal March 2011
Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO 2 Reduction journal February 2018
Electocatalytic Water Oxidation by Cobalt(III) Hangman β-Octafluoro Corroles journal June 2011
Mechanism of the Electrocatalytic Reduction of Protons with Diaryldithiolene Cobalt Complexes journal June 2014
Nickel phosphine catalysts with pendant amines for electrocatalytic oxidation of alcohols journal January 2015
Intermolecular Nonbonded Contact Distances in Organic Crystal Structures: Comparison with Distances Expected from van der Waals Radii journal January 1996
Combined Spectroscopic and Electrochemical Detection of a Ni I ⋅⋅⋅HN Bonding Interaction with Relevance to Electrocatalytic H 2 Production journal June 2015
Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H 2 Production journal June 2014
An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen journal February 2013
Density-functional approximation for the correlation energy of the inhomogeneous electron gas journal June 1986
The roles of the first and second coordination spheres in the design of molecular catalysts for H 2 production and oxidation journal January 2009
Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation journal November 2013
A Local Proton Source Enhances CO 2 Electroreduction to CO by a Molecular Fe Catalyst journal October 2012
Nature of hydrogen interactions with Ni(II) complexes containing cyclic phosphine ligands with pendant nitrogen bases journal March 2007
Electrocatalytic Oxidation of Formate by [Ni(P R 2 N R′ 2 ) 2 (CH 3 CN)] 2+ Complexes journal August 2011
Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere journal June 2013
A rare terminal dinitrogen complex of chromium journal January 2011
Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays journal January 2006
Investigating the Role of the Outer-Coordination Sphere in [Ni(P Ph 2 N Ph-R 2 ) 2 ] 2+ Hydrogenase Mimics journal June 2012
A bioinspired iron catalyst for nitrate and perchlorate reduction journal November 2016
Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal January 2006
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
Infrared detection of M–H ⋯ OPPh 3 hydrogen bonds journal January 1995
Mechanistic Insights into Catalytic H 2 Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base journal April 2009
Electrocatalytic Hydrogen Production by a Nickel Complex Containing a Tetradentate Phosphine Ligand journal October 2018
Positional effects of second-sphere amide pendants on electrochemical CO 2 reduction catalyzed by iron porphyrins journal January 2018
Syntheses and Structural Characterizations of Iron(II) Complexes Containing Cyclic Diphosphine Ligands with Positioned Pendant Nitrogen Bases journal September 2007
Role of the Secondary Coordination Sphere in Metal-Mediated Dioxygen Activation journal April 2010
Electrochemical Reduction of CO2 Catalyzed by a Dinuclear Palladium Complex Containing a Bridging Hexaphosphine Ligand: Evidence for Cooperativity journal October 1995
Synthesis, Structures, and Reactions of Manganese Complexes Containing Diphosphine Ligands with Pendant Amines journal October 2010
Effect of Ligand Modification on the Mechanism of Electrocatalytic Hydrogen Production by Ni(pyridinethiolate) 3 Derivatives journal February 2018
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
The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes journal April 2012
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

Similar Records

Evaluation of Attractive Interactions in the Second Coordination Sphere of Iron Complexes Containing Pendant Amines
Journal Article · Sun Apr 21 00:00:00 EDT 2019 · Dalton Transactions · OSTI ID:1501691

Syntheses and Reactions of Iron(II) Complexes Containing Diphosphine Ligands with Pendant Nitrogen Bases
Journal Article · Mon Sep 24 00:00:00 EDT 2007 · Organometallics, 26(20):4964-4971 · OSTI ID:1501691

Synthesis, Structures, and Reactions of Manganese Complexes Containing Diphosphine Ligands With Pendant Amines
Journal Article · Fri Oct 01 00:00:00 EDT 2010 · Organometallics, 29(20):4532-4540 · OSTI ID:1501691

Related Subjects