H. Thomassen, K. Hedberg
Jun 1, 1990
Citations
0
Influential Citations
6
Citations
Journal
The Journal of Physical Chemistry
Abstract
The molecular structure of 1,2-dichlorotetrafluorocyclobutene has been determined by electron diffraction from its vapor at a nozzle-tip temperature of 20 o C. The structure has also been optimized by ab initio methods at the HF/SCF 6-31G * level, and a scaled quantum mechanical (SQM) quadratic force field has been derived. The diffraction results are consistent with a molecule of symmetry C 2υ having the following values for the bond distances (r α /A) and bond angles (L a /deg): r(C=C)=β=1.359 (9), r(C-F)=1.340 (2), r(=C-C-)=1.500 (6), r(-C-C-)=1.599 (10), r(C-Cl)=1.687 (3), L(F-C-F)=108.2 (4), L(C=C-C)=94.6 (2), L(C=C-Cl)=133.9 (3), and L(-C-C-F)=114.5 (6)