Spectroscopy of 1, 4, 4-Trifluorocyclobutene
A new compound, 1,4,4-trifluorocyclobutene (144FCB), has been obtained as a byproduct in the reduction of perfluorocyclobutene with sodium borohydride. A comprehensive spectroscopic study of 144FCB has been undertaken including microwave, IR, Raman and NMR data. Ground state rotational constants, A=3629.34, B=2600.74, and C=2098.93 MHz, were derived from the microwave data and used to distinguish 144FCB from other possible isomers and to propose a structure. NMR chemical shifts and coupling constants and the vibrational fundamentals are assigned and compared to other members of the cyclobutene family. Frequencies of vibrational fundamentals of 144FCB (cm^-^1) are: (a') 3126, 2967, 1679, 1457, 1377, 1245, 1179, 1045, 914, 752, 690, 577, 453, 263, 213; (a'') 3000, 1198, 1061, 938, 821, 577, 381, 190, -. A small amount of 3,3,4-trifluorocyclobutene has also been found in the products of the reduction reaction, and its NMR spectra and its IR spectrum are reported.
Craig, Norman C., Hidong Kim, Primo Lorencak, Scott P. Sibley, and Robert L. Kuczkowski. 1990. "Spectroscopy of 1, 4, 4-Trifluorocyclobutene." Journal of Molecular Structure 223: 45-61.
Journal of Molecular Structure
Chemistry and Biochemistry