A Brief Overview of Spectroscopic Studies of Cyclohexane and Its Derivatives
Year: 2025
Type: article
Abstract: This paper presents the results of comprehensive research on the structure of condensed phases of monosubstituted cyclohexanes and the dynamics of their rearrangement under the influence of thermal motion. Special emphasis is placed on analyzing different molecular conformations such as "chair," "boat," and "twist," and the energetic characteristics of transitions between these forms. Experimental data from acoustic spectroscopy, infrared spectroscopy, and Raman scattering studies confirm the existence of different conformations and the mechanisms of their interconversion. The article provides a detailed analysis of the normal vibrational modes of cyclohexane molecules, explores the mechanisms of relaxation processes, and calculates the thermodynamic parameters of the transition states. Additionally, computational modeling of potential energy surfaces using molecular mechanics and semi-empirical quantum chemistry methods is discussed. Studies on self-diffusion, viscosity, and molecular reorientation in the liquid state, based on nuclear magnetic resonance (NMR) data, are also reviewed. The findings allow for a deeper understanding of the mechanisms of structural transformations in cyclohexanes under variations in temperature and pressure and highlight the importance of combining experimental and theoretical approaches for a comprehensive investigation into the structure and dynamics of organic molecules.
Author: A. Artikov
Language: English
Subfield: Spectroscopy
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4413957567