Redox-Active Scandium Oxide Cluster inside a Fullerene Cage: Spectroscopic, Voltammetric, Electron Spin Resonance Spectroelectrochemical, and Extended Density Functional Theory Study of Sc4O2@C80and Its Ion Radicals

Alexey A. Popov; Ning Chen; Julio R. Pinzón; Steven Stevenson; Luis A. Echegoyen; Lothar Dunsch

doi:10.1021/ja306728p

Redox-Active Scandium Oxide Cluster inside a Fullerene Cage: Spectroscopic, Voltammetric, Electron Spin Resonance Spectroelectrochemical, and Extended Density Functional Theory Study of Sc4O2@C80and Its Ion Radicals

Journal of the American Chemical Society ◽

10.1021/ja306728p ◽

2012 ◽

Vol 134 (48) ◽

pp. 19607-19618 ◽

Cited By ~ 56

Author(s):

Alexey A. Popov ◽

Ning Chen ◽

Julio R. Pinzón ◽

Steven Stevenson ◽

Luis A. Echegoyen ◽

...

Keyword(s):

Density Functional Theory ◽

Electron Spin Resonance ◽

Electron Spin ◽

Density Functional ◽

Fullerene Cage ◽

Density Functional Theory Study ◽

Oxide Cluster ◽

Functional Theory ◽

Redox Active ◽

Spin Resonance

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Amine-catalyzed olefin epoxidation mechanism with enantioselectivity: Oxidation by secondary amine N,N-dioxo-radical derived from electron spin resonance, electrospray ionization-mass spectrometry and density functional theory calculation

Journal of Molecular Catalysis A Chemical ◽

10.1016/j.molcata.2013.03.026 ◽

2013 ◽

Vol 374-375 ◽

pp. 73-84 ◽

Cited By ~ 2

Author(s):

Hongchang Shi ◽

Yong Li

Keyword(s):

Mass Spectrometry ◽

Density Functional Theory ◽

Electron Spin Resonance ◽

Electron Spin ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Ionization Mass ◽

Functional Theory ◽

Spin Resonance ◽

Theory Calculation

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Unraveling the Electron Spin Resonance Pattern of Nonsymmetric Radicals with 30 Fluorine Atoms: Electron Spin Resonance and Vis−Near-Infrared Spectroelectrochemistry of the Anion Radicals and Dianions of C60(CF3)2n(2n= 2−10) Derivatives and Density Functional Theory-Assisted Assignment

Journal of the American Chemical Society ◽

10.1021/ja1043775 ◽

2010 ◽

Vol 132 (33) ◽

pp. 11709-11721 ◽

Cited By ~ 13

Author(s):

Alexey A. Popov ◽

Ivan E. Kareev ◽

Natalia B. Shustova ◽

Steven H. Strauss ◽

Olga V. Boltalina ◽

...

Keyword(s):

Density Functional Theory ◽

Electron Spin Resonance ◽

Electron Spin ◽

Density Functional ◽

Near Infrared ◽

Functional Theory ◽

Spin Resonance ◽

Anion Radicals

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Structure and dynamics of the silacyclobutane radical cation, studied by ab initio and density functional theory and electron spin resonance spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.474441 ◽

1997 ◽

Vol 107 (2) ◽

pp. 297-306 ◽

Cited By ~ 12

Author(s):

Torbjörn Fängström ◽

Sten Lunell ◽

Bernd Engels ◽

Leif A. Eriksson ◽

Masaru Shiotani ◽

...

Keyword(s):

Density Functional Theory ◽

Electron Spin Resonance ◽

Ab Initio ◽

Electron Spin ◽

Density Functional ◽

Electron Spin Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Functional Theory ◽

Structure And Dynamics ◽

Spin Resonance

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Structure, magnetism, and dissociation energy of small bimetallic cobalt-chromium oxide cluster cations: A density-functional-theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2015.11.015 ◽

2016 ◽

Vol 643 ◽

pp. 77-83 ◽

Cited By ~ 2

Author(s):

Hung Tan Pham ◽

Ngo Tuan Cuong ◽

Nguyen Minh Tam ◽

Vu Dinh Lam ◽

Nguyen Thanh Tung

Keyword(s):

Density Functional Theory ◽

Chromium Oxide ◽

Dissociation Energy ◽

Density Functional ◽

Density Functional Theory Study ◽

Cobalt Chromium ◽

Oxide Cluster ◽

Functional Theory

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Density Functional Theory Study on How Electron Spin Configuration of Co3+Ion Affects the Structure and Magnetism of Co-Doped Bismuth Ferrite

Japanese Journal of Applied Physics ◽

10.7567/jjap.52.09kb01 ◽

2013 ◽

Vol 52 (9S1) ◽

pp. 09KB01 ◽

Cited By ~ 2

Author(s):

Dan Ricinschi

Keyword(s):

Density Functional Theory ◽

Electron Spin ◽

Density Functional ◽

Bismuth Ferrite ◽

Density Functional Theory Study ◽

Functional Theory ◽

Spin Configuration ◽

Co Doped

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The effect of a silica support: a density functional theory study of the C-H bond activation of ethane on a nickel oxide cluster

Journal of Physical Organic Chemistry ◽

10.1002/poc.3509 ◽

2015 ◽

Vol 29 (3) ◽

pp. 134-144 ◽

Cited By ~ 4

Author(s):

Xufeng Lin ◽

Yanyan Xi ◽

David L. Phillips ◽

Wenyue Guo

Keyword(s):

Density Functional Theory ◽

Nickel Oxide ◽

Density Functional ◽

Bond Activation ◽

Silica Support ◽

Density Functional Theory Study ◽

Oxide Cluster ◽

Functional Theory

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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