Spectroscopic investigation of ground state pyrrole (12C4H5N): the NH stretch

Rotation–Vibration Constants for the ν1, ν22, ν24, ν22+ ν24, and Ground States in Pyrrole (12C4H5N)

“…Results of similar quality, concerning 2715 a-type transitions in the 1 0 1 band, were recently published from our group (11). We therefore decided to gather all assignments for the 22 0 1 and 1 0 1 bands in a simultaneous fitting procedure, also including the 140 pure rotation lines reported in the literature of Wlodarczak et al (8).…”

The high-resolution infrared spectrum of pyrrole between 900 and 1500cm−1 revisited

“…The vibrational assignment of pyrrole was further confirmed theoretically by B3LYP density functional techniques using both the cc-pVTZ and TZ2P basis set by Palmer [2]. The majority of the previous highresolution infrared work on pyrrole has been concerned with the NH-and CH-modes and corresponding overtones [3][4][5]. The only high-resolution mid-infrared study was performed on the very strong c-type band m 14 at 722 cm À1 by Mellouki et al [6] in 1999.…”

High resolution synchrotron-based study and analysis of the ν14 band of thiophene

“…They assigned $2200 transitions in the P-and R-branches and their analysis yielded both the ground state and excited state rotational constants as well as centrifugal and sextic distortion parameters. By comparison, the nitrogen and oxygen-containing analogs of thiophene (known as pyrrole and furan, respectively) have been the subjects of more extensive high resolution spectroscopic studies [9][10][11][12][13][14][15]. This is likely a consequence of their less dense rotational structures which are more amenable to assignment and analysis.…”