Self-assembly structures of 1H-indazoles in the solution and solid phases: a vibrational (IR, FIR, Raman, and VCD)
J R Avilés Moreno1, M M Quesada Moreno, J J López González
1Departamento de Química Física y Analítica, Universidad de Jaén, Campus Las Lagunillas, 23071 Jaén (Spain).
Abstract:
1H-indazoles are good candidates for studying the phenomena of molecular association and spontaneous resolution of chiral compounds. Thus, because the 1H-indazoles can crystallize as dimers, trimers, or catemers, depending on their structure and the phase that they are in, the difficulty in the experimental analysis of the structure of the family of 1H-indazoles becomes clear. This difficulty leads us to contemplate several questions: How can we determine the presence of different structures of a given molecular species if they change according to the phase? Could these different structures be present in the same phase simultaneously? How can they be determined? To shed light on these questions, we outline a very complete strategy by using various vibrational spectroscopic techniques that are sensitive (VCD) and insensitive (IR, FIR, and Raman) towards the chirality, together with quantum chemical calculations.
Related Concept Videos
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations
IR Spectroscopy: Molecular Vibration Overview
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
Infrared (IR) Spectroscopy: Overview
Different compounds display unique properties due to their...
IR and UV–Vis Spectroscopy of Aldehydes and Ketones


