Maximum aromaticity or maximum pentagon separation; which is the origin behind the stability of endohedral metallofullerenes?

被引：10

作者：

Rodriguez-Fortea, Antonio ^{[1
]}

Poblet, Josep M. ^{[1
]}

机构：

[1] Univ Rovira & Virgili, Dept Quim Fis & Inorgan, Tarragona 43007, Spain

来源：

FARADAY DISCUSSIONS | 2014年 / 173卷

关键词：

STRUCTURAL-CHARACTERIZATION; SPHERICAL AROMATICITY; FULLERENES; RULE; STABILIZATION; C-80; C-60; APPROXIMATION; ISOMERS; SYSTEMS;

D O I：

10.1039/c4fd00096j

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：

Two different interpretations have been recently proposed to rationalize the stabilization of some hosting cages in endohedral metallofullerenes as a consequence of the larger localization of the negative charge on pentagonal rather than on hexagonal faces. We try to figure out the physical origin that mainly governs the stability of charged fullerenes; is it aromaticity or electrostatics?

引用

页码：201 / 213

页数：13

共 4 条

[1] The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes
Rodriguez-Fortea, Antonio
Alegret, Nuria
Balch, Alan L.
Poblet, Josep M.
NATURE CHEMISTRY, 2010, 2 (11) : 955 - 961
[2] The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes
Antonio Rodríguez-Fortea
Núria Alegret
Alan L. Balch
Josep M. Poblet
Nature Chemistry, 2010, 2 : 955 - 961
[3] Maximum Aromaticity as a Guiding Principle for the Most Suitable Hosting Cages in Endohedral Metallofullerenes
Garcia-Borras, Marc
Osuna, Silvia
Swart, Marcel
Luis, Josep M.
Sola, Miquel
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2013, 52 (35) : 9275 - 9278
[4] DESIGN AND STUDY OF A NOVEL THE-SCINTILLATOR SHOWER MAXIMUM DETECTOR WHICH YIELDS EXCELLENT SEPARATION OF GAMMA/PI(0) SHOWERS
GRUNHAUS, J
KANANOV, S
MILSTENE, C
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 1995, 354 (2-3): : 368 - 375

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