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Conformational Analysis of Molecular Complexes between Sodium and 1,2-Dimethoxyethane: Photoionization and ab Initio Molecular Orbital Studies

✍ Scribed by Yeh, T.-S.; Su, T.-M.

Book ID: 127207322
Publisher: American Chemical Society
Year: 1997
Tongue: English
Weight: 274 KB
Volume: 101
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp9627178

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The conformational characteristics of allylamine were investigated by the ab initio STO-~G basis set. The results indicate that the molecule exists in a number of stable conformations through rotations about the CC-NH and CC-CN bonds. The TE ( &u~-CCNLP, LP representing lone-pair electrons, and ecli