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IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
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When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
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Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...

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The vibrational frequency of a bond is directly proportional to its bond strength. As a result, stronger bonds vibrate at higher frequencies, while weaker bonds vibrate at lower frequencies. The stretching vibration of the strong O–H bond in alcohols and phenols (very dilute solution or gas phase) appears as a sharp peak at 3600–3650 cm−1.
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Related Experiment Video

Updated: Jun 21, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

Vibrational mode specific bond dissociation in a single molecule.

J R Hahn¹, W Ho

¹Department of Chemistry and Institute of Photonics and Information Technology, Chonbuk National University, Jeonju 561-756, Republic of Korea. jrhahn@chonbuk.ac.kr

The Journal of Chemical Physics

|August 7, 2009

Summary

Scanning tunneling microscopy imaged and dissociated O(2)-water-O complexes on silver. Electron energy matching the O-H vibration significantly boosted dissociation, showing vibrational energy

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Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy

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Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy

Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy

Published on: March 16, 2020

Area of Science:

Surface science
Physical chemistry
Nanotechnology

Background:

Understanding molecule-surface interactions is crucial for catalysis and nanotechnology.
Single-molecule dynamics on surfaces are complex and influenced by various factors.

Purpose of the Study:

To investigate the dissociation of O(2)-water-O complexes on a Ag(110) surface using scanning tunneling microscopy.
To determine the influence of electron energy and current on dissociation rates.

Main Methods:

Utilized scanning tunneling microscopy (STM) to image and induce dissociation of single O(2)-water-O complexes.
Controlled electron energy and current to probe dissociation mechanisms.
Operated at cryogenic temperatures (13 K) for precise control.

Main Results:

Achieved imaging and dissociation of individual O(2)-water-O complexes.
Observed a ~100-fold increase in dissociation rate when electron energy matched the O-H stretch vibration.
Demonstrated that bond dissociation competes with vibrational energy dissipation pathways.

Conclusions:

Vibrational excitation via tunneling electrons can drive chemical reactions at the single-molecule level.
Hydrogen bonding between water and oxygen species lowers the dissociation barrier.
This study provides insights into electron-driven chemistry on surfaces.