Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...

IR Spectroscopy: Molecular Vibration Overview

IR Spectroscopy: Molecular Vibration Overview

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.
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...

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.

Infrared (IR) Spectroscopy: Overview

Infrared (IR) Spectroscopy: Overview

When electromagnetic radiation passes through a material, atoms or molecules transition from a lower to a higher energy state by absorbing radiation corresponding to the energy difference between the two states. The absorption of infrared (IR) radiation causes transitions between vibrational energy levels in a molecule. Therefore, IR spectroscopy is a useful analytical tool for determining the molecular structure of molecules.
Different compounds display unique properties due to their...

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.
According to Hooke's law, the vibrational frequency is directly proportional to the...

UV–Vis Spectroscopy: Molecular Electronic Transitions

UV–Vis Spectroscopy: Molecular Electronic Transitions

In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this process,...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Quantifying Local Electrostatics through Vibrational Lifetimes in Solution: Methyl Thiocyanate as a Model Nitrile Probe.

The journal of physical chemistry letters·2026

Same author

Substituent Position Dependence of Interfacial Organization Governs Opposite Surface Tension Responses of Aminobutyric Acid Isomers.

The journal of physical chemistry. B·2026

Same author

Microheterogeneity and Decoupled Dynamics in <i>N</i>-Methyl-2-pyrrolidone (NMP)-Water Solutions Probed with Ultrafast Infrared Spectroscopy and Molecular Dynamics Simulations.

The journal of physical chemistry letters·2026

Same author

Electronic-Structure-Driven Regulation of Water Hydrogen-Bond Dynamics Revealed by Ultrafast IR Spectroscopy for Stable Aqueous Sodium-Ion Batteries.

ACS applied materials & interfaces·2026

Same author

Predictive correlation and mechanistic understanding of ice nucleation in cryoprotective solutions.

The Journal of chemical physics·2026

Same author

Triple-Functional Hydrazide-Based Modifier for Self-Assembled Monolayers/Perovskite to Obtain 26.29%-Efficiency Inverted MA-Free Perovskite Solar Cells.

Angewandte Chemie (International ed. in English)·2026

Search research articles

Related Experiment Video

Updated: Jun 3, 2026

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Published on: December 1, 2023

Mapping molecular conformations with multiple-mode two-dimensional infrared spectroscopy.

Hongtao Bian¹, Jiebo Li, Xiewen Wen

¹Department of Chemistry, Rice University, Houston, Texas 77005, United States.

The Journal of Physical Chemistry. A

|March 29, 2011

Summary

This summary is machine-generated.

This study uses two-dimensional infrared spectroscopy to determine the 3D molecular structures and populations of 1-cyanovinyl acetate. Analysis of transition dipole moments reveals detailed molecular conformations.

More Related Videos

Advances in Nanoscale Infrared Spectroscopy to Explore Multiphase Polymeric Systems

Advances in Nanoscale Infrared Spectroscopy to Explore Multiphase Polymeric Systems

Published on: June 23, 2023

Related Experiment Videos

Last Updated: Jun 3, 2026

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Published on: December 1, 2023

Advances in Nanoscale Infrared Spectroscopy to Explore Multiphase Polymeric Systems

Advances in Nanoscale Infrared Spectroscopy to Explore Multiphase Polymeric Systems

Published on: June 23, 2023

Area of Science:

Physical Chemistry
Molecular Spectroscopy
Computational Chemistry

Background:

Understanding molecular conformations and population distributions is crucial for predicting chemical properties and reactivity.
Two-dimensional infrared (2D-IR) spectroscopy offers a powerful method for probing molecular vibrations and structural dynamics.

Purpose of the Study:

To determine the three-dimensional molecular conformations and population distributions of 1-cyanovinyl acetate in solution.
To utilize multiple-mode 2D-IR spectroscopy over a broad frequency range for comprehensive structural analysis.

Main Methods:

Acquisition of multiple-mode 2D-IR spectra for a 1-cyanovinyl acetate solution in CCl(4) from 1000 to 3200 cm(-1).
Analysis of transition dipole moment orientations of normal modes corresponding to all chemical bond vibrations.
Integration of quantum chemistry calculations to correlate experimental dipole moment cross angles with molecular bond angles.

Main Results:

Successfully obtained detailed three-dimensional molecular conformations of 1-cyanovinyl acetate.
Determined the population distributions among these different conformations.
Established a link between spectroscopic observables (dipole moment orientations) and structural parameters (bond angles).

Conclusions:

The combination of 2D-IR spectroscopy and computational methods provides an effective approach for elucidating complex molecular structures.
The reported method allows for the detailed characterization of molecular conformations and their relative abundances in solution.