Abstract
In this work, we have used theoretical ab initio calculations to design a molecular trap for an excess electron consisting of two chains of hydrogen-bonded HF molecules and a water molecule. A system with a 'tweezers'-type shape has been found, where the excess electron is localized between two HF molecules in a ⋯FH·e·HF⋯ bridge.
Original language | English (US) |
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Pages (from-to) | 317-320 |
Number of pages | 4 |
Journal | Chemical Physics Letters |
Volume | 383 |
Issue number | 3-4 |
DOIs | |
State | Published - Jan 8 2004 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry