Highly polar bonds and the meaning of covalency and ionicity--structure and bonding of alkali metal hydride oligomers

F.M. Bickelhaupt; M. Sola; C. Fonseca Guerra

doi:10.1039/b606093e

Highly polar bonds and the meaning of covalency and ionicity--structure and bonding of alkali metal hydride oligomers

F.M. Bickelhaupt, M. Sola, C. Fonseca Guerra

Theoretical Chemistry

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

The hydrogen-alkali metal bond is simple and archetypal, and thus an ideal model for studying the nature of highly polar element-metal bonds. Thus, we have theoretically explored the alkali metal hydride monomers, HM, and (distorted) cubic tetramers, (HM)

Original language	English
Pages (from-to)	451-68; discussion 489506
Journal	Faraday Discussions
Volume	135
DOIs	https://doi.org/10.1039/b606093e
Publication status	Published - 2007

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title = "Highly polar bonds and the meaning of covalency and ionicity--structure and bonding of alkali metal hydride oligomers",

abstract = "The hydrogen-alkali metal bond is simple and archetypal, and thus an ideal model for studying the nature of highly polar element-metal bonds. Thus, we have theoretically explored the alkali metal hydride monomers, HM, and (distorted) cubic tetramers, (HM)",

author = "F.M. Bickelhaupt and M. Sola and {Fonseca Guerra}, C.",

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AU - Bickelhaupt, F.M.

AU - Sola, M.

AU - Fonseca Guerra, C.

PY - 2007

Y1 - 2007

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DO - 10.1039/b606093e

M3 - Article

SN - 1359-6640

VL - 135

SP - 451-68; discussion 489506

JO - Faraday Discussions

JF - Faraday Discussions

ER -

Highly polar bonds and the meaning of covalency and ionicity--structure and bonding of alkali metal hydride oligomers

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