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Title: Electron affinity of modified benzene

ORCiD logo [1];  [1]
  1. Physics DepartmentVirginia Commonwealth UniversityRichmond Virginia23284‐2000
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Resource Type:
Publisher's Accepted Manuscript
Journal Name:
International Journal of Quantum Chemistry
Additional Journal Information:
Journal Name: International Journal of Quantum Chemistry Journal Volume: 118 Journal Issue: 4; Journal ID: ISSN 0020-7608
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States

Citation Formats

Driver, Nicholas, and Jena, Purusottam. Electron affinity of modified benzene. United States: N. p., 2017. Web.
Driver, Nicholas, & Jena, Purusottam. Electron affinity of modified benzene. United States.
Driver, Nicholas, and Jena, Purusottam. Thu . "Electron affinity of modified benzene". United States.
title = {Electron affinity of modified benzene},
author = {Driver, Nicholas and Jena, Purusottam},
abstractNote = {},
doi = {10.1002/qua.25504},
journal = {International Journal of Quantum Chemistry},
number = 4,
volume = 118,
place = {United States},
year = {2017},
month = {9}

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Cited by: 5 works
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Works referenced in this record:

Probing the potential of halogen-free superhalogen anions as effective electrolytes of Li-ion batteries: a theoretical prospect from combined ab initio and DFT studies
journal, January 2016

  • Sun, Yin-Yin; Li, Jin-Feng; Zhou, Fu-Qiang
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 41
  • DOI: 10.1039/C6CP05871J

The saturation of the excess electron binding energy in <mml:math altimg="si1.gif" overflow="scroll" xmlns:xocs="" xmlns:xs="" xmlns:xsi="" xmlns="" xmlns:ja="" xmlns:mml="" xmlns:tb="" xmlns:sb="" xmlns:ce="" xmlns:xlink="" xmlns:cals=""><mml:mrow><mml:msub><mml:mrow><mml:mtext>Al</mml:mtext></mml:mrow><mml:mrow><mml:mi>n</mml:mi></mml:mrow></mml:msub><mml:msubsup><mml:mrow><mml:mtext>F</mml:mtext></mml:mrow><mml:mrow><mml:mn>3</mml:mn><mml:mi>n</mml:mi><mml:mo>+</mml:mo><mml:mn>1</mml:mn></mml:mrow><mml:mrow><mml:mo>-</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:math> (n=1–5) anions
journal, May 2012

Prediction of Superhalogen-Stabilized Noble Gas Compounds
journal, September 2014

  • Samanta, Devleena
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 18
  • DOI: 10.1021/jz501404h

Superhalogens as building blocks of complex hydrides for hydrogen storage
journal, July 2016

Mg2Cl5 - and Mg3Cl7 - Superhalogen Anions
journal, January 2008

  • Anusiewicz, Iwona
  • Australian Journal of Chemistry, Vol. 61, Issue 9
  • DOI: 10.1071/CH08212

Borane Derivatives: A New Class of Super- and Hyperhalogens
journal, July 2011

  • Pathak, Biswarup; Samanta , Devleena; Ahuja, Rajeev
  • ChemPhysChem, Vol. 12, Issue 13
  • DOI: 10.1002/cphc.201100320

The way to systems with the highest possible electron affinity
journal, July 1984

Au(CN) n Complexes: Superhalogens with Pseudohalogen as Building Blocks
journal, September 2011

  • Samanta, Devleena; Wu, Miao Miao; Jena, Purusottam
  • Inorganic Chemistry, Vol. 50, Issue 18
  • DOI: 10.1021/ic201040c

1005. Fluorides of the noble metals. Part II. Dioxygenyl hexafluoroplatinate(V), O2 +[PtF6]?
journal, January 1962

  • Bartlett, Neil; Lohmann, D. H.
  • Journal of the Chemical Society (Resumed)
  • DOI: 10.1039/jr9620005253

A comparison of experimental determinations of electron affinities of pi charge transfer complex acceptors
journal, October 1975

  • Chen, E. C. M.; Wentworth, W. E.
  • The Journal of Chemical Physics, Vol. 63, Issue 8
  • DOI: 10.1063/1.431807

Designing new electrolytic salts for Lithium Ion Batteries using superhalogen anions
journal, October 2016

Hyperhalogens: Discovery of a New Class of Highly Electronegative Species
journal, October 2010

  • Willis, Mary; Götz, Matthias; Kandalam, Anil K.
  • Angewandte Chemie International Edition, Vol. 49, Issue 47, p. 8966-8970
  • DOI: 10.1002/anie.201002212

Theoretical Search for Anions Possessing Large Electron Binding Energies
journal, October 2003

  • Sobczyk, Monika; Sawicka, Agnieszka; Skurski, Piotr
  • European Journal of Inorganic Chemistry, Vol. 2003, Issue 20
  • DOI: 10.1002/ejic.200300180

DVM α calculations on the electronic structure of complex chlorine anions
journal, December 1981

Nucleus-Independent Chemical Shifts:  A Simple and Efficient Aromaticity Probe
journal, January 1996

  • Schleyer, Paul von Ragué; Maerker, Christoph; Dransfeld, Alk
  • Journal of the American Chemical Society, Vol. 118, Issue 26
  • DOI: 10.1021/ja960582d

Superhalogens as Building Blocks of Halogen-Free Electrolytes in Lithium-Ion Batteries
journal, October 2014

  • Giri, Santanab; Behera, Swayamprabha; Jena, Puru
  • Angewandte Chemie, Vol. 126, Issue 50
  • DOI: 10.1002/ange.201408648

Halogenoids as Ligands in Superhalogen Anions
journal, November 2009

  • Smuczyńska, Sylwia; Skurski, Piotr
  • Inorganic Chemistry, Vol. 48, Issue 21
  • DOI: 10.1021/ic901253r

A Recipe for Designing Molecules with Ever-Increasing Electron Affinities
journal, January 2012

  • Paduani, C.; Jena, P.
  • The Journal of Physical Chemistry A, Vol. 116, Issue 5
  • DOI: 10.1021/jp211736e

An Evaluation of the Aromaticity of Inorganic Rings:  Refined Evidence from Magnetic Properties
journal, December 1997

  • Schleyer, Paul von Ragué; Jiao, Haijun; Hommes, Nicolaas J. R. van Eikema
  • Journal of the American Chemical Society, Vol. 119, Issue 51
  • DOI: 10.1021/ja9719135

A benchmark theoretical study of the electron affinities of benzene and linear acenes
journal, August 2008

  • Hajgató, B.; Deleuze, M. S.; Tozer, D. J.
  • The Journal of Chemical Physics, Vol. 129, Issue 8
  • DOI: 10.1063/1.2967182

Amino acids form strongly bound anions when substituted with superhalogen ligands
journal, April 2013

  • Sieradzan, Iwona; Anusiewicz, Iwona
  • The Journal of Chemical Physics, Vol. 138, Issue 13
  • DOI: 10.1063/1.4798320

Aromatic Superhalogens
journal, March 2014

  • Child, Brandon Z.; Giri, Santanab; Gronert, Scott
  • Chemistry - A European Journal, Vol. 20, Issue 16
  • DOI: 10.1002/chem.201305057

Neutral and anionic superhalogen hydroxides
journal, May 2011

Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands
journal, March 2014

  • Yin, Bing; Li, Teng; Li, Jin-Feng
  • The Journal of Chemical Physics, Vol. 140, Issue 9
  • DOI: 10.1063/1.4867009

The possibility of forming superhalogen anions with hydroperoxide groups as ligands
journal, February 2013

An explanation of the high electron affinities of the 5d-metal hexafluorides
journal, October 1983

Molecular Origin of Properties of Organic–Inorganic Hybrid Perovskites: The Big Picture from Small Clusters
journal, April 2016

Superhalogen Anions Utilizing Acidic Functional Groups As Ligands
journal, October 2009

  • Anusiewicz, Iwona
  • The Journal of Physical Chemistry A, Vol. 113, Issue 42
  • DOI: 10.1021/jp907246w

Theoretical Search for Alternative Nine-Electron Ligands Suitable for Superhalogen Anions
journal, March 2011

  • Sikorska, Celina; Freza, Sylwia; Skurski, Piotr
  • The Journal of Physical Chemistry A, Vol. 115, Issue 10
  • DOI: 10.1021/jp2000392

Unusual structures of <mml:math altimg="si7.gif" display="inline" overflow="scroll" xmlns:xocs="" xmlns:xs="" xmlns:xsi="" xmlns="" xmlns:ja="" xmlns:mml="" xmlns:tb="" xmlns:sb="" xmlns:ce="" xmlns:xlink="" xmlns:cals=""><mml:mrow><mml:msub><mml:mrow><mml:mtext>Mg</mml:mtext></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub><mml:msubsup><mml:mrow><mml:mtext>F</mml:mtext></mml:mrow><mml:mrow><mml:mn>5</mml:mn></mml:mrow><mml:mrow><mml:mo>-</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:math> superhalogen anion
journal, May 2007

Super-ion inspired colorful hybrid perovskite solar cells
journal, January 2016

  • Fang, Hong; Jena, Puru
  • Journal of Materials Chemistry A, Vol. 4, Issue 13
  • DOI: 10.1039/C5TA09646D

Formation and properties of iron-based magnetic superhalogens: A theoretical study
journal, September 2013

  • Ding, Li-Ping; Kuang, Xiao-Yu; Shao, Peng
  • The Journal of Chemical Physics, Vol. 139, Issue 10
  • DOI: 10.1063/1.4819912

Superhalogens beget superhalogens: a case study of (BO 2 ) n oligomers
journal, January 2015

  • Kandalam, Anil K.; Kiran, Boggavarapu; Jena, P.
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 40
  • DOI: 10.1039/C5CP04600A

Electrophilic Substituents as Ligands in Superhalogen Anions
journal, June 2009

  • Anusiewicz, Iwona
  • The Journal of Physical Chemistry A, Vol. 113, Issue 23
  • DOI: 10.1021/jp901910q

Organic Superhalogens
journal, July 2014

Origin of the Unusual Properties of Au n (BO 2 ) Clusters
journal, February 2010

Stable anions formed by organic molecules substituted with superhalogen functional groups
journal, June 2012

Functionalization of benzene by superhalogens
journal, March 2017

Structure and properties of Mn 4 Cl 9 : An antiferromagnetic binary hyperhalogen
journal, February 2013

  • Li, Yawei; Zhang, Shunhong; Wang, Qian
  • The Journal of Chemical Physics, Vol. 138, Issue 5
  • DOI: 10.1063/1.4776217

The Oxidizing Properties of the Third Transition Series Hexafluorides and Related Compounds
journal, June 1968

  • Bartlett, Neil
  • Angewandte Chemie International Edition in English, Vol. 7, Issue 6
  • DOI: 10.1002/anie.196804331

Manganese-Based Magnetic Superhalogens
journal, February 2011

  • Wu, Miao Miao; Wang, Haopeng; Ko, Yeon Jae
  • Angewandte Chemie, Vol. 123, Issue 11
  • DOI: 10.1002/ange.201007205

Vibrationally Resolved Photoelectron Spectroscopy of BO - and BO 2 - :  A Joint Experimental and Theoretical Study
journal, February 2007

  • Zhai, Hua-Jin; Wang, Lei-Ming; Li, Si-Dian
  • The Journal of Physical Chemistry A, Vol. 111, Issue 6
  • DOI: 10.1021/jp0666939

Electron affinities of hexafluorobenzene and pentafluorobenzene
journal, January 1987

  • Wentworth, W. E.; Limero, Thomas.; Chen, Edward C. M.
  • The Journal of Physical Chemistry, Vol. 91, Issue 1
  • DOI: 10.1021/j100285a051

Towards high throughput screening of electrochemical stability of battery electrolytes
journal, August 2015