Chemical reactivity driving switchable molecular machines. A case of Bipyridine -Calixarene rotaxane

被引：2

作者：

Dudas, Nicoleta A. ^{[1
,2
]}

Putz, Mihai, V ^{[1
,2
,3
]}

机构：

[1] West Univ Timisoara, Biol Chem Dept, Lab Struct & Computat Phys Chem Nanosci, Timisoara, Romania

[2] West Univ Timisoara, QSAR, Biol Chem Dept, Timisoara, Romania

[3] R&D Natl Inst Electrochem & Condensed Matter, Lab Renewable Energies Photovolta, Timisoara, Romania

来源：

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES | 2019年 / 27卷 / 06期

关键词：

Supramolecular chemistry; molecular machines; rotaxane; calixarene; chemical reactivity indices; ABSOLUTE ELECTRONEGATIVITY; VARIATIONAL-PRINCIPLES; BIOLOGICAL-ACTIVITY; HARDNESS; DENSITY; WHEEL; DERIVATIVES; CATENANES; DESIGN; DRIVEN;

D O I：

10.1080/1536383X.2019.1612379

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：

The driving interlocked mechanisms by the chemical reactivity profiles of molecular machine's stages is undertaken, for the calixare-based rotaxane complexes containing tris(N-phenylureido)-calix[6]arene as wheel and a 4,4'-bipyridinium dication's units as axle; The results clearly indicate the huge chemical reactivity dynamic potential (especially of electronegativity which is ultimately assimilated with the negative of the chemical potential of a system) able to drive either the slipper as well as the deslipper interlocked mechanisms of molecular machines, here for the bipyridine-calixarene rotaxane case, yet with appearing as a structural best (to date) structural explanation of the "activated mobile" character of the molecular machines by simple its inner self-activated potential.

引用

页码：514 / 524

页数：11

共 93 条

[41] Chemical consequences of mechanical bonding in catenanes and rotaxanes: isomerism, modification, catalysis and molecular machines for synthesis [J].

Neal, Edward A. ;

Goldup, Stephen M. .

CHEMICAL COMMUNICATIONS, 2014, 50 (40) :5128-5142

[42] Plugging a Bipyridinium Axle into Multichromophoric Calix[6]arene Wheels Bearing Naphthyl Units at Different Rims [J].

Orlandini, Guido ;

Ragazzon, Giulio ;

Zanichelli, Valeria ;

Degli Esposti, Lorenzo ;

Baroncini, Massimo ;

Silvi, Serena ;

Venturi, Margherita ;

Credi, Alberto ;

Secchi, Andrea ;

Arduini, Arturo .

CHEMISTRYOPEN, 2017, 6 (01) :64-72

[43]

Parr R.G., 1989, DENSITY FUNCTIONAL T

[44] ABSOLUTE HARDNESS - COMPANION PARAMETER TO ABSOLUTE ELECTRONEGATIVITY [J].

PARR, RG ;

PEARSON, RG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (26) :7512-7516

[45] ELECTRONEGATIVITY - DENSITY FUNCTIONAL VIEWPOINT [J].

PARR, RG ;

DONNELLY, RA ;

LEVY, M ;

PALKE, WE .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (08) :3801-3807

[46] PRINCIPLE OF MAXIMUM HARDNESS [J].

PARR, RG ;

CHATTARAJ, PK .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (05) :1854-1855

[47] DENSITY FUNCTIONAL-APPROACH TO THE FRONTIER-ELECTRON THEORY OF CHEMICAL-REACTIVITY [J].

PARR, RG ;

YANG, WT .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (14) :4049-4050

[48]

Pearson R.G., 1997, CHEM HARDNESS

[49]

Pearson R.G., 1973, HARD SOFT ACIDS BASE

[50] HARD AND SOFT ACIDS AND BASES - THE EVOLUTION OF A CHEMICAL CONCEPT [J].

PEARSON, RG .

COORDINATION CHEMISTRY REVIEWS, 1990, 100 :403-425

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