Electrostatic Modeling of the Tunable Potential Difference between the Two Consecutive Oxidation Steps of Dinickel Bisfulvalene

被引：14

作者：

Barriere, Frederic ^{[1
]}

机构：

[1] Univ Rennes 1, Inst Sci Chim Rennes, Equipe MaCSE, CNRS,UMR 6226, Rennes, France

来源：

ORGANOMETALLICS | 2014年 / 33卷 / 18期

关键词：

2-ELECTRON TRANSFERS; ELECTROCHEMISTRY; ANIONS;

D O I：

10.1021/om500248z

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The tuning by medium effect of the potential difference between the two consecutive electron transfers of dinickel bisfulvalene is qualitatively modeled by the Born solvation model and the Coulomb charge attraction/repulsion law. Calls are made for a better electrostatic understanding of the electrochemical experiment and for accurate modeling with theoretical chemistry.

引用

页码：5046 / 5048

页数：3

共 10 条

[1]

Bard A.J., 1971, PureAppl. Chem, V25, P379

[2] Use of weakly coordinating anions to develop an integrated approach to the tuning of ΔE1/2 values by medium effects [J].

Barrière, F ;

Geiger, WE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (12) :3980-3989

[3] Volumes and hydration warmth of ions [J].

Born, M .

ZEITSCHRIFT FUR PHYSIK, 1920, 1 :45-48

[4]

de Coulomb C. A., 1788, MEMOIRES ACAD R SCI, V88, P578

[5] One-electron and two-electron transfers in electrochemistry and homogeneous solution reactions [J].

Evans, Dennis H. .

CHEMICAL REVIEWS, 2008, 108 (07) :2113-2144

[6] Organometallic Electrochemistry Based on Electrolytes Containing Weakly-Coordinating Fluoroarylborate Anions [J].

Geiger, William E. ;

Barriere, Frederic .

ACCOUNTS OF CHEMICAL RESEARCH, 2010, 43 (07) :1030-1039

[7] Single two-electron transfers vs successive one-electron transfers in polyconjugated systems illustrated by the electrochemical oxidation and reduction of carotenoids [J].

Hapiot, PF ;

Kispert, LD ;

Konovalov, VV ;

Savéant, JM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (27) :6669-6677

[8] A Density Functional Theory Based Protocol to Compute the Redox Potential of Transition Metal Complex with the Correction of Pseudo-Counterion: General Theory and Applications [J].

Matsui, Toni ;

Kitagawa, Yasutaka ;

Shigeta, Yasuteru ;

Okumurat, Mitsutaka .

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (07) :2974-2980

[9] Manipulating the electrolyte medium to favor either one-electron or two-electron oxidation pathways for (fulvalendiyl)dirhodium complexes [J].

Nafady, A ;

Chin, TT ;

Geiger, WE .

ORGANOMETALLICS, 2006, 25 (07) :1654-1663

[10] Quantum mechanical continuum solvation models [J].

Tomasi, J ;

Mennucci, B ;

Cammi, R .

CHEMICAL REVIEWS, 2005, 105 (08) :2999-3093

← 1 →