Photoelectron spectroscopic study of carbon aluminum hydride cluster anions

Xinxing Zhang; Haopeng Wang; Gerd Ganteför; Bryan W Eichhorn; Boggavarapu Kiran; Kit H Bowen

doi:10.1063/1.4964934

Photoelectron spectroscopic study of carbon aluminum hydride cluster anions

J Chem Phys. 2016 Oct 21;145(15):154305. doi: 10.1063/1.4964934.

Authors

Xinxing Zhang¹, Haopeng Wang¹, Gerd Ganteför², Bryan W Eichhorn³, Boggavarapu Kiran⁴, Kit H Bowen¹

Affiliations

¹ Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA.
² Facultat für Physik, Universität Konstanz, 78457 Konstanz, Germany.
³ Department of Chemistry, University of Maryland at College Park, College Park, Maryland 20742, USA.
⁴ Department of Chemistry, McNeese State University, Lake Charles, Louisiana 70609, USA.

PMID: 27782488
DOI: 10.1063/1.4964934

Abstract

Numerous previously unknown carbon aluminum hydride cluster anions were generated in the gas phase, identified by time-of-flight mass spectrometry and characterized by anion photoelectron spectroscopy, revealing their electronic structure. Density functional theory calculations on the CAl_5-9H^- and CAl_5-7H₂^- found that several of them possess unusually high carbon atom coordination numbers. These cluster compositions have potential as the basis for new energetic materials.