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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Resonant Ionic, Covalent Bond, and Steric Characteristics Present in 1Σu+ States of Li2
Michiko Ahn Furudate1, Denis Hagebaum-Reignier2, Jin-Tae Kim3
1Department of Mechatronics Engineering, Chungnam National University, Daejeon 34134, Korea.
Abstract:
The molecular bonding in the excited states of the alkali dimers involves the resonant ionic, covalent bond and steric interactions. We show here the case of the 1Σu+ states of Li2 by ab initio calculation. These interactions as functions of the internuclear distance lead to complex potential energy curves, providing an important application for high resolution laser spectroscopy. The spectroscopic constants for the 4 and 5 1Σu+ states are obtained for the first time.
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