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Title: Photoelectron spectroscopic and computational studies of [EDTA·M( iii )] complexes (M = H 3 , Al, Sc, V–Co)

Abstract

Photoelectron spectroscopic and computational studies of [EDTA·M( iii )] complexes reveal their redox chemistry and specific metal bindings.

Authors:
 [1];  [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [2]
  1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China
  2. Physical Sciences Division, Pacific Northwest National Laboratory, Richland, USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1460001
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 20 Journal Issue: 29; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Yuan, Qinqin, Kong, Xiang-Tao, Hou, Gao-Lei, Jiang, Ling, and Wang, Xue-Bin. Photoelectron spectroscopic and computational studies of [EDTA·M( iii )] − complexes (M = H 3 , Al, Sc, V–Co). United Kingdom: N. p., 2018. Web. doi:10.1039/C8CP01548A.
Yuan, Qinqin, Kong, Xiang-Tao, Hou, Gao-Lei, Jiang, Ling, & Wang, Xue-Bin. Photoelectron spectroscopic and computational studies of [EDTA·M( iii )] − complexes (M = H 3 , Al, Sc, V–Co). United Kingdom. doi:10.1039/C8CP01548A.
Yuan, Qinqin, Kong, Xiang-Tao, Hou, Gao-Lei, Jiang, Ling, and Wang, Xue-Bin. Mon . "Photoelectron spectroscopic and computational studies of [EDTA·M( iii )] − complexes (M = H 3 , Al, Sc, V–Co)". United Kingdom. doi:10.1039/C8CP01548A.
@article{osti_1460001,
title = {Photoelectron spectroscopic and computational studies of [EDTA·M( iii )] − complexes (M = H 3 , Al, Sc, V–Co)},
author = {Yuan, Qinqin and Kong, Xiang-Tao and Hou, Gao-Lei and Jiang, Ling and Wang, Xue-Bin},
abstractNote = {Photoelectron spectroscopic and computational studies of [EDTA·M( iii )] − complexes reveal their redox chemistry and specific metal bindings.},
doi = {10.1039/C8CP01548A},
journal = {Physical Chemistry Chemical Physics},
number = 29,
volume = 20,
place = {United Kingdom},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C8CP01548A

Citation Metrics:
Cited by: 4 works
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Works referenced in this record:

FT-IR study of the adsorption of some complexones and of EDTA alkaline salts into alumina
journal, February 2000


Reduction of vanadium(V) to vanadium(IV) by NADPH, and vanadium(IV) to vanadium(III) by cysteine methyl ester in the presence of biologically relevant ligands
journal, August 2007

  • Islam, Mohammad K.; Tsuboya, Chieko; Kusaka, Hiroko
  • Biochimica et Biophysica Acta (BBA) - General Subjects, Vol. 1770, Issue 8
  • DOI: 10.1016/j.bbagen.2007.05.003

Detailed Spectroscopic and Theoretical Studies on [Fe(EDTA)(O 2 )] 3 - :  Electronic Structure of the Side-on Ferric−Peroxide Bond and Its Relevance to Reactivity
journal, December 1998

  • Neese, Frank; Solomon, Edward I.
  • Journal of the American Chemical Society, Vol. 120, Issue 49
  • DOI: 10.1021/ja981561h

Study of Ion Specific Interactions of Alkali Cations with Dicarboxylate Dianions
journal, February 2012

  • Murdachaew, Garold; Valiev, Marat; Kathmann, Shawn M.
  • The Journal of Physical Chemistry A, Vol. 116, Issue 9
  • DOI: 10.1021/jp3012848

Ligand-Controlled Reactivity, Selectivity, and Mechanism of Cationic Ruthenium-Catalyzed Hydrosilylations of Alkynes, Ketones, and Nitriles: A Theoretical Study
journal, August 2014

  • Yang, Yun-Fang; Chung, Lung Wa; Zhang, Xinhao
  • The Journal of Organic Chemistry, Vol. 79, Issue 18
  • DOI: 10.1021/jo501730n

NMR study of intramolecular processes in EDTA metal complexes
journal, January 1983


Vibrational spectra of two Fe(III)/EDTA complexes useful for iron supplementation
journal, February 2010

  • Wagner, Claudia C.; Baran, Enrique J.
  • Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 75, Issue 2
  • DOI: 10.1016/j.saa.2009.11.059

EDTA: the chelating agent under environmental scrutiny
journal, January 2003


Dissolution of Fe(III) (hydr) oxides by metal-EDTA complexes
journal, March 1997


The Raman Spectral Study on the Solution Structure of Iron(III)-edta Complexes
journal, May 1990

  • Kanamori, Kan; Dohniwa, Hidekazu; Ukita, Naoya
  • Bulletin of the Chemical Society of Japan, Vol. 63, Issue 5
  • DOI: 10.1246/bcsj.63.1447

Complex Formation Equilibria of Unusual Seven-Coordinate Fe(EDTA) Complexes with DNA Constituents and Related Bio-relevant Ligands
journal, May 2012

  • El-Sherif, Ahmed A.; Shoukry, Mohamed M.; Hosny, Wafaa M.
  • Journal of Solution Chemistry, Vol. 41, Issue 5
  • DOI: 10.1007/s10953-012-9833-4

On the EPR spectrum of the trivalent nickel EDTA complex in aqueous solutions
journal, June 1975


Dynamic NMR of Intramolecular Exchange Processes in EDTA Complexes of Sc3+, Y3+, and La3+
journal, February 2006

  • Ba, Yong; Han, Steven; Ni, Lily
  • Journal of Chemical Education, Vol. 83, Issue 2
  • DOI: 10.1021/ed083p296

A Detailed Mechanistic Study of the Substitution Behavior of an Unusual Seven-Coordinate Iron(III) Complex in Aqueous Solution
journal, October 2002

  • Ivanovic-Burmazovic, Ivana; Hamza, Mohamed S. A.; van Eldik, Rudi
  • Inorganic Chemistry, Vol. 41, Issue 20
  • DOI: 10.1021/ic0200803

Infrared Spectra of Aqueous Solutions. III. Ethylenediaminetetraacetic Acid, N-Hydroxyethylethylenediaminetriacetic Acid and Diethylenetriaminepentaacetic Acid
journal, February 1963

  • Nakamoto, Kazuo.; Morimoto, Yukiyoshi.; Martell, Arthur E.
  • Journal of the American Chemical Society, Vol. 85, Issue 3
  • DOI: 10.1021/ja00886a014

EDTA, thymidine, and Cu2+ ion complexes from mass spectrometry data
journal, March 2017

  • Paston, S. V.; Nikolaev, A. I.; Ushkov, P. A.
  • Journal of Structural Chemistry, Vol. 58, Issue 2
  • DOI: 10.1134/S0022476617020251

Mechanism of the Peroxidatic Activity of Iron(III)-EDTA in the Catalyzed Reaction of Hydrogen Peroxide with p-Amino-N,N-diethylaniline
journal, June 1960

  • Mader, Paul M.
  • Journal of the American Chemical Society, Vol. 82, Issue 11
  • DOI: 10.1021/ja01496a068

Coordination chemistry of hexadentate EDTA-type ligands with M(III) ions
journal, October 1993


Crystal- and Solution-Structure Characteristics of Ethylenediaminetetraacetatoaluminate(III) and Gallate(III)
journal, June 2002

  • Jung, Woo-Sik; Chung, Young Keun; Shin, Dong Mok
  • Bulletin of the Chemical Society of Japan, Vol. 75, Issue 6
  • DOI: 10.1246/bcsj.75.1263

An environmental benign process for cobalt and lithium recovery from spent lithium-ion batteries by mechanochemical approach
journal, May 2016


Influence of Chelate Effects on the Water-Exchange Mechanism of Polyaminecarboxylate Complexes of Iron(III)
journal, July 2001

  • Schneppensieper, Thorsten; Seibig, Sabine; Zahl, Achim
  • Inorganic Chemistry, Vol. 40, Issue 15
  • DOI: 10.1021/ic001304p

Microsolvation of the acetate anion [ CH 3 CO 2 - ( H 2 O ) n , n= 1–3]: A photoelectron spectroscopy and ab initio computational study
journal, July 2009


Evidence of Significant Covalent Bonding in Au(CN) 2
journal, November 2009

  • Wang, Xue-Bin; Wang, Yi-Lei; Yang, Jie
  • Journal of the American Chemical Society, Vol. 131, Issue 45
  • DOI: 10.1021/ja908106e

Reduction of Vanadium(IV) to Vanadium(III) by Cysteine Methyl Ester in Water in the Presence of Amino Polycarboxylates
journal, May 1997

  • Kanamori, Kan; Kinebuchi, Yoshiko; Michibata, Hitoshi
  • Chemistry Letters, Vol. 26, Issue 5
  • DOI: 10.1246/cl.1997.423

The kinetics of the reaction of superoxide radical with Fe(III) complexes of EDTA, DETAPAC and HEDTA
journal, July 1983


Performance of Ab Initio and Density Functional Methods for Conformational Equilibria of C n H 2 n +2 Alkane Isomers ( n = 4−8)
journal, October 2009

  • Gruzman, David; Karton, Amir; Martin, Jan M. L.
  • The Journal of Physical Chemistry A, Vol. 113, Issue 43
  • DOI: 10.1021/jp903640h

The Analytical Uses of Ethylenediaminetetraacetic Acid
journal, May 1958

  • Yoe, John H.
  • Journal of the American Chemical Society, Vol. 80, Issue 10
  • DOI: 10.1021/ja01543a080

The mechanism of iron EDTA catalyzed superoxide dismutation
journal, August 1983

  • Bull, Christopher; McClune, Gregory J.; Fee, James A.
  • Journal of the American Chemical Society, Vol. 105, Issue 16
  • DOI: 10.1021/ja00354a019

A Seven Coordinate Co-EDTA Complex. Crystal and Molecular Structure of Aquo(ethylenediaminetriacetatoacetic acid)cobalt(III) Dihydrate
journal, December 1995

  • Zubkowski, Jeffrey D.; Perry, Dale L.; Valente, Edward J.
  • Inorganic Chemistry, Vol. 34, Issue 25
  • DOI: 10.1021/ic00129a028

Probing the electronic structure of redox species and direct determination of intrinsic reorganization energies of electron transfer reactions
journal, April 2000

  • Wang, Xue-Bin; Wang, Lai-Sheng
  • The Journal of Chemical Physics, Vol. 112, Issue 16
  • DOI: 10.1063/1.481292

Multiwfn: A multifunctional wavefunction analyzer
journal, December 2011

  • Lu, Tian; Chen, Feiwu
  • Journal of Computational Chemistry, Vol. 33, Issue 5
  • DOI: 10.1002/jcc.22885

Simulation of the Mobility of Metal−EDTA Complexes in Groundwater:  The Influence of Contaminant Metals
journal, February 2002

  • Friedly, J. C.; Kent, D. B.; Davis, J. A.
  • Environmental Science & Technology, Vol. 36, Issue 3
  • DOI: 10.1021/es010926m

EDTA-induced heavy metal accumulation and phytotoxicity in cardoon plants
journal, May 2007

  • Hernández-Allica, Javier; Garbisu, Carlos; Barrutia, Oihana
  • Environmental and Experimental Botany, Vol. 60, Issue 1
  • DOI: 10.1016/j.envexpbot.2006.06.006

Solvent Tuning of the Substitution Behavior of a Seven-Coordinate Iron(III) Complex
journal, February 2006

  • Ivanović-Burmazović, Ivana; Hamza, Mohamed S. A.; van Eldik, Rudi
  • Inorganic Chemistry, Vol. 45, Issue 4
  • DOI: 10.1021/ic0514694

DFT calculations on kinetic data for some [4+2] reactions in solution
journal, January 2014

  • Li, Yue; Fang, De-Cai
  • Physical Chemistry Chemical Physics, Vol. 16, Issue 29
  • DOI: 10.1039/c4cp02068e

Basic Edta as an Extractant for Soil Organic Phosphorus
journal, January 1993


Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy
journal, January 2017


Anion A • HX Clusters with Reduced Electron Binding Energies: Proton vs Hydrogen Atom Relocation upon Electron Detachment
journal, November 2014

  • Wang, Xue-Bin; Kass, Steven R.
  • Journal of the American Chemical Society, Vol. 136, Issue 49
  • DOI: 10.1021/ja510914d

The kinetics of decomposition of hydrogen peroxide in the presence of ethylenediaminetetraacetatoiron(III) complex
journal, January 1982


Evaluation of Microbial Reduction of Fe(III)EDTA in a Chemical Absorption-Biological Reduction Integrated NO x Removal System
journal, January 2007

  • Li, Wei; Wu, Cheng-Zhi; Zhang, Shi-Han
  • Environmental Science & Technology, Vol. 41, Issue 2
  • DOI: 10.1021/es061757e

FTIR Spectra of the M(EDTA) n- Complexes in the Process of Sol-Gel Technique
journal, June 2004


Cupric-selective electrode with copper(II)-EDTA for end point detection in chelometric titrations of metal ions
journal, December 1969

  • Baumann, Elizabeth W.; Wallace, Richard M.
  • Analytical Chemistry, Vol. 41, Issue 14
  • DOI: 10.1021/ac50159a050

Study of metal–ligand species by ESI-MS: The case of La, Nd and Th complexes with EDTA
journal, November 2016


Photoelectron Spectroscopy of Anilinide and Acidity of Aniline
journal, March 2012

  • Wren, Scott W.; Vogelhuber, Kristen M.; Ichino, Takatoshi
  • The Journal of Physical Chemistry A, Vol. 116, Issue 12
  • DOI: 10.1021/jp211463r

Assignment of the deuteron NMR spectra of chromium(III) complexes with edta and related ligands
journal, April 1985

  • Wheeler, William D.; Legg, J. Ivan
  • Inorganic Chemistry, Vol. 24, Issue 9
  • DOI: 10.1021/ic00203a007

Sodium Iron EDTA [NaFe(III)EDTA] as a Food Fortificant Does Not Influence Absorption and Urinary Excretion of Manganese in Healthy Adults
journal, July 1998

  • Davidsson, Lena; Almgren, Annette; Hurrell, Richard F.
  • The Journal of Nutrition, Vol. 128, Issue 7
  • DOI: 10.1093/jn/128.7.1139

Speciation of EDTA in Natural Waters: Exchange Kinetics of Fe-EDTA in River Water
journal, January 1995

  • Xue, Hanbin.; Sigg, Laura.; Kari, Franz Guenter.
  • Environmental Science & Technology, Vol. 29, Issue 1
  • DOI: 10.1021/es00001a007

Studies on mixed ligand complexes of ruthenium(III) edta with purines
journal, October 1990


Photoelectron Angular Distribution and Molecular Structure in Multiply Charged Anions
journal, February 2009

  • Xing, Xiao-Peng; Wang, Xue-Bin; Wang, Lai-Sheng
  • The Journal of Physical Chemistry A, Vol. 113, Issue 6
  • DOI: 10.1021/jp8073442

Determination of the electron affinity of iodine
journal, April 1992

  • Hanstorp, D.; Gustafsson, M.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 25, Issue 8
  • DOI: 10.1088/0953-4075/25/8/012