ChemInform Abstract: Conformation and Internal Rotation in 2-Nitrofuran and 2- Nitrothiophene by Microwave Spectroscopy.

Abstract

Abstract Results of a microwave investigation of the molecules 2-nitrofuran and 2-nitrothiophene are reported. Transitions in the ground state, torsional excited states and out-of-plane and in-plane excited states of the bending vibration of the nitro group have been assigned. The rotational parameters are consistent with a planar equilibrium configuration for both molecules. The torsional frequency has been derived from relative intensity measurements and inertial defect values. The barrier hindering internal rotation has been calculated to be 17kJ mol−1 and 19kJ mol−1 for 2-nitrofuran and 2-introthiophene, respectively.