Can an electron-shell closing model explain the structure and stability of ligand-stabilized metal clusters?

Jaehoon Jung, Hyemi Kim, Young Kyu Han

Research output: Contribution to journalArticlepeer-review

26 Scopus citations

Abstract

We investigated the structure and stability of several aluminum hydride complexes to understand the essence of "superatom chemistry" and to gain a right perspective on the ligand (L)-stabilized metal (M) clusters. We successfully interpret the structure and stability using molecular orbital analysis, which clearly shows the failure of an electron-shell closing model (or a superatom model) to explain it. The structure and stability of Al mHn are closely associated with the molecular orbital stabilization owing to the effective orbital overlap between Alm (Mm) and nH (nL). The importance of retaining the electronic structural integrity of Mm in MmLn-within an electron-shell closing model-has been underestimated or even disregarded, and this has created the current controversies in the scientific community.

Original languageEnglish
Pages (from-to)6090-6095
Number of pages6
JournalJournal of the American Chemical Society
Volume133
Issue number15
DOIs
StatePublished - 20 Apr 2011

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