Related Experiment Video
Updated: Mar 29, 2026

Preparation of a Corannulene-functionalized Hexahelicene by CopperI-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units
Published on: September 18, 2016
High-Resolution Far-Infrared Spectroscopy of N-Substituted Two-Ring Polycyclic Aromatic Hydrocarbons: An Extended
S Gruet1,2, O Pirali1,2, M Goubet3
1AILES beamline Synchrotron SOLEIL, L'Orme des Merisiers , 91190 Saint-Aubin, France.
Abstract:
Polycyclic aromatic hydrocarbons (PAHs) and their N-substituted derivatives are among the largest species for which gas-phase high-resolution spectroscopy can be performed nowadays. In this paper we report the observation and analysis of spectra from several N-substituted two-ring PAHs, all taken in the "fingerprint" far-infrared region (<850 cm(-1)). Together with accurate measurements of their pure rotational transitions in the millimeter and submillimeter ranges, these synchrotron-based Fourier transform infrared (FTIR) measurements provide an accurate description of the rotational energy levels in the ground and low-energy excited vibrational states of these species. To complement the experimental data, anharmonic DFT calculations were performed to obtain relatively accurate rotational and vibrational parameters. The calculated results strongly support the rotational analysis and provide a good estimate of the equilibrium structures for each species. Extended measurements, analysis, and calculations are presented here for the far-IR bands of quinoline (C9H7N), isoquinoline (C9H7N), quinoxaline (C8H6N2), quinazoline (C8H6N2), [1,5]-naphthyridine (C8H6N2), [1,6]-naphthyridine (C8H6N2), and indole (C8H7N) molecules.
Related Concept Videos
NMR Spectroscopy of Aromatic Compounds
NMR Spectroscopy of Benzene Derivatives
Spectroscopy of Carboxylic Acid Derivatives
Five-Membered Heterocyclic Aromatic Compounds: Overview
Aromatic Hydrocarbon Anions: Structural Overview
Due to the absence of continuous...
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

