The D-2d structure and easy rotation around the C=C bond of the TCNE dianion

Authors
Uno, B Okumura, N
Citation
B. Uno et N. Okumura, The D-2d structure and easy rotation around the C=C bond of the TCNE dianion, CHEM LETT, (11), 1999, pp. 1167-1168
Citations number
14
Categorie Soggetti
Chemistry
Journal title
CHEMISTRY LETTERS
ISSN journal
03667022 → ACNP
Issue
11
Year of publication
1999
Pages
1167 - 1168
Database
ISI
SICI code
0366-7022(199911):11<1167:TDSAER>2.0.ZU;2-C
Abstract
The structural and spectral characteristics of the tetracyanoethylene diani on (TCNE2-) have been investigated. The two-electron addition to the untibo nding LUMO of TCNE causes the easy rotation around the C=C bond characteriz ed by the formal single bond. The spectral measurements and MO calculations gives results that TCNE2- preferentially adopts the D-2d and D-2h structur es in CH3CN and CH2Cl2, respectively.