Stabilizing H3-: Or Are We Stabilizing a Proton?

被引：7

作者：

Grabowski, Slawomir J. ^{[2
,3
,4
]}

Hoffmann, Roald ^{[1
]}

机构：

[1] Cornell Univ, Baker Lab, Dept Chem & Chem Biol, Ithaca, NY 14853 USA

[2] Euskal Herriko Unibertsitatea, Kimika Fak, Donostia Euskadi 20080, Spain

[3] DIPC, Donostia Euskadi 20080, Spain

[4] Basque Fdn Sci, IKERBASQUE, Bilbao Euskadi 48011, Spain

来源：

CHEMPHYSCHEM | 2012年 / 13卷 / 09期

基金：

美国国家科学基金会;

关键词：

computational chemistry; gas-phase chemistry; H plus complexes; Li ions; stabilizing H3-; AB-INITIO; ELECTRONIC-STRUCTURE; MOLECULES;

D O I：

10.1002/cphc.201200182

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：

Gestalt: The (LiHHHLi)+ cation can be looked at in two ways - as a stabilized linear H3- anion. Or as two LiH molecules stabilizing a proton. It is not certain if this interesting pentatomic cation can be detected, for it is computed to have only marginal stability with respect to decomposition to its only likely escape channel, to a complex of H 2 and the LiHLi+ ion. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：2286 / 2288

页数：3

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