Scaling Relationships and Volcano Plots in Homogeneous Catalysis

被引：37

作者：

Anand, Megha ^{[1
]}

Rohr, Brian ^{[2
]}

Statt, Michael J. ^{[2
]}

Norskov, Jens K. ^{[1
]}

机构：

[1] Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark

[2] Stanford Univ, SUNCAT Ctr Surface Sci & Catalysis, Dept Chem Engn, Stanford, CA 94035 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2020年 / 11卷 / 20期

关键词：

FREE-ENERGY RELATIONSHIPS; ELECTRON-TRANSFER REACTIONS; BUCHWALD-HARTWIG AMINATION; HYDROGEN-ATOM TRANSFER; AMMONIA-SYNTHESIS; OUTER-SPHERE; ACTIVATION PARAMETERS; MOLECULAR CATALYSIS; RATE CONSTANTS; ARYL HALIDES;

D O I：

10.1021/acs.jpclett.0c01991

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Scaling relations and volcano plots are widely used in heterogeneous catalysis. In this Perspective, we discuss the prospects and challenges associated with the application of similar concepts in homogeneous catalysis using examples from the literature that have appeared recently.

引用

页码：8518 / 8526

页数：9

共 91 条

[1] Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces [J].

Abild-Pedersen, F. ;

Greeley, J. ;

Studt, F. ;

Rossmeisl, J. ;

Munter, T. R. ;

Moses, P. G. ;

Skulason, E. ;

Bligaard, T. ;

Norskov, J. K. .

PHYSICAL REVIEW LETTERS, 2007, 99 (01)

[2] Computational catalyst screening: Scaling, bond-order and catalysis [J].

Abild-Pedersen, Frank .

CATALYSIS TODAY, 2016, 272 :6-13

[3] Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald-Hartwig Amination Reaction [J].

Anand, Megha ;

Norskov, Jens K. .

ACS CATALYSIS, 2020, 10 (01) :336-345

[4] Non-innocent Additives in a Palladium(II)-Catalyzed C-H Bond Activation Reaction: Insights into Multimetallic Active Catalysts [J].

Anand, Megha ;

Sunoj, Raghavan B. ;

Schaefer, Henry F., III .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2014, 136 (15) :5535-5538

[5] Palladium(II)-Catalyzed Direct Alkoxylation of Arenes: Evidence for Solvent-Assisted Concerted Metalation Deprotonation [J].

Anand, Megha ;

Sunoj, Raghavan B. .

ORGANIC LETTERS, 2011, 13 (18) :4802-4805

[6] Beyond Scaling Relations for the Description of Catalytic Materials [J].

Andersen, Mie ;

Levchenko, Sergey V. ;

Scheffler, Matthias ;

Reuter, Karsten .

ACS CATALYSIS, 2019, 9 (04) :2752-2759

[7] Free energy relationships in electrochemistry: a history that started in 1935 [J].

Appleby, Anthony John ;

Heraclito Zagal, Jose .

JOURNAL OF SOLID STATE ELECTROCHEMISTRY, 2011, 15 (7-8) :1811-1832

[8] Calculated linear free energy relationships in the course of the Suzuki-Miyaura coupling reaction [J].

Audran, Gerard ;

Bremond, Paul ;

Marque, Sylvain R. A. ;

Siri, Didier ;

Santelli, Maurice .

TETRAHEDRON, 2014, 70 (13) :2272-2279

[9] Is silver a mere terminal oxidant in palladium catalyzed C-H bond activation reactions? [J].

Bhaskararao, Bangaru ;

Singh, Sukriti ;

Anand, Megha ;

Verma, Pritha ;

Prakash, Prafull ;

Athira, C. ;

Malakar, Santanu ;

Schaefer, Henry F. ;

Sunoj, Raghavan B. .

CHEMICAL SCIENCE, 2020, 11 (01) :208-216

[10] Beyond the classical thermodynamic contributions to hydrogen atom abstraction reactivity [J].

Bim, Daniel ;

Maldonado-Dominguez, Mauricio ;

Rulisek, Lubomir ;

Srnec, Martin .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2018, 115 (44) :E10287-E10294

← 1 2 3 4 5 6 7 8 9 10 →