Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

5.5K
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...
5.5K
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

2.1K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
2.1K
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

3.3K
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...
3.3K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

3.5K
The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved...
3.5K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.7K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.7K
¹H NMR Signal Multiplicity: Splitting Patterns01:13

¹H NMR Signal Multiplicity: Splitting Patterns

7.2K
When protons A and X are coupled, their nuclear spin energy levels are slightly modified. This is because the energy required to excite proton A to a spin state parallel to proton X is slightly different from the energy required for it to become anti-parallel to spin X. Consequently, there are two possible excitation frequencies for A (A1 and A2), depending on the spin state of X, and vice versa. The mutual nature of coupling implies that the difference between frequencies A1 and A2, indicated...
7.2K

You might also read

Related Articles

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

Sort by
Same author

Rovibrational energy levels of H2O by quantum computing.

The Journal of chemical physics·2026
Same author

Leaving-Group Effects in S<sub>N</sub>2@P: Potential Energy Surface and Dynamics of the F <b><sup>-</sup></b> + PH<sub>2</sub>I Reaction Compared to Its Cl <b><sup>-</sup></b> ‑Leaving-Group Analogue.

ACS physical chemistry Au·2026
Same author

Explicitly Correlated Multireference Configuration Interaction Investigation of the Structures and Energetics of Al<sub>x</sub>N<sub>y</sub><sup>q+</sup> (x ≥ 1, y ≥ 1, and x + y ≤ 4; q = 0-2) Nanoclusters.

The journal of physical chemistry. A·2026
Same author

Vibrational infrared and Raman spectra of the methanol molecule with equivariant neural-network property surfaces.

Physical chemistry chemical physics : PCCP·2026
Same author

Measured active rotational-vibrational energy levels (MARVEL) analysis of high-resolution rovibrational spectra of H<sup>12</sup>C<sup>14</sup>N.

Communications chemistry·2026
Same author

Selective Solar CO<sub>2</sub> Conversion into Ethanol Using Atomic-Scale Copper Clusters Anchored π-extended Poly(heptazine imide).

Small (Weinheim an der Bergstrasse, Germany)·2026

Related Experiment Video

Updated: Mar 7, 2026

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer
07:52

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer

Published on: April 12, 2017

13.4K

Complex rovibrational dynamics of the Ar·NO+ complex.

Dóra Papp1, János Sarka1, Tamás Szidarovszky1

  • 1MTA-ELTE Complex Chemical Systems Research Group, P.O. Box 32, H-1518 Budapest 112, Hungary. csaszar@chem.elte.hu.

Physical Chemistry Chemical Physics : PCCP
|February 23, 2017
PubMed
Summary

Computational methods reveal detailed rotational-vibrational states for the Argon-Nitrosyl ion (Ar·NO+) complex. This study analyzes bound, quasibound, and resonance states, aiding interpretation of experimental vibrational motion data.

More Related Videos

Uncovering Hidden Dynamics of Natural Photonic Structures Using Holographic Imaging
05:45

Uncovering Hidden Dynamics of Natural Photonic Structures Using Holographic Imaging

Published on: March 31, 2022

3.1K
Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
16:11

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

2.8K

Related Experiment Videos

Last Updated: Mar 7, 2026

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer
07:52

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer

Published on: April 12, 2017

13.4K
Uncovering Hidden Dynamics of Natural Photonic Structures Using Holographic Imaging
05:45

Uncovering Hidden Dynamics of Natural Photonic Structures Using Holographic Imaging

Published on: March 31, 2022

3.1K
Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
16:11

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

2.8K

Area of Science:

  • Chemical Physics
  • Quantum Mechanics
  • Spectroscopy

Background:

  • The Argon-Nitrosyl ion (Ar·NO+) is a van der Waals complex with limited experimental data on its intermonomer vibrational motion.
  • Understanding the energy levels and dynamics of such complexes is crucial for molecular spectroscopy and theoretical chemistry.

Purpose of the Study:

  • To compute and characterize the rotational-vibrational states of the Ar·NO+ complex across its dissociation energy.
  • To interpret existing experimental results on the intermonomer vibrational motion of the Ar·NO+ complex.
  • To identify and analyze bound, quasibound, and resonance states within the complex.

Main Methods:

  • Variational nuclear motion computations were employed to determine bound-state energies and wave functions.
  • Close-coupling scattering computations were utilized to investigate states above the dissociation energy.
  • The HSLH potential energy surface was used for all calculations.

Main Results:

  • The study computed rotational-vibrational states below, above, and well above the first dissociation energy (D0 = 887.0 cm-1).
  • A total of 200 bound vibrational states were identified, providing insights into experimental observations.
  • A significant number of long-lived quasibound states, embedded in the continuum, were found with energy structures similar to bound states.
  • Short-lived resonance states were also identified and their properties analyzed.

Conclusions:

  • The computed states provide a comprehensive understanding of the Ar·NO+ complex's dynamics.
  • The findings facilitate the interpretation of scarce experimental data on the complex's vibrational motion.
  • The identification of quasibound and resonance states expands the knowledge of complex dynamics beyond bound states.