CLOSING THE (SINGLET-TRIPLET) GAP: BeOBe AND ITS ANION STUDIED USING PHOTOELECTRON SPECTROSCOPY

Jaffe, Noah B

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Description

Title

CLOSING THE (SINGLET-TRIPLET) GAP: BeOBe AND ITS ANION STUDIED USING PHOTOELECTRON SPECTROSCOPY

Author(s)

Jaffe, Noah B

Contributor(s)

• Heaven, Michael
• Dollar, Caitlyn M

Issue Date

2023-06-20

Keyword(s)

Small molecules

Abstract

Beryllium containing molecules often exhibit intense multi-reference character that can lead to large discrepancies in computational results depending on the treatment of electron correlation. Exemplary of this multi-reference character is the BeOBe molecule, which has long been a source of frustration for computational methods due to is very small singlet-triplet energy splitting. While the molecule has been studied experimentally before by laser induced florescence, this singlet-triplet gap had yet to be rigorously determined. Here we present the first experimental values for the BeOBe singlet triplet gap, obtained via Slow Electron Velocity Map Imaging (SEVI) spectroscopy on the BeOBe anion, as well as comparison to previous experiment and theoretical calculations. This new data links the singlet and triplet manifolds obtained in previous studies, providing new insight into this strange molecule.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Handle URL

https://hdl.handle.net/2142/122391

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