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¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

1.4K
The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
1.4K
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

1.3K
When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
1.3K
Carbon-13 (¹³C) NMR: Overview01:10

Carbon-13 (¹³C) NMR: Overview

6.9K
Carbon-13 is a naturally occurring NMR-active isotope of carbon with a low natural abundance of 1.1%. In contrast, carbon-12 is the most abundant isotope of carbon with zero nuclear spin. Therefore, it is NMR inactive. The gyromagnetic ratio of carbon-13 is smaller than that of protons. As a result, carbon-13 resonance is about 6000 times weaker than proton resonance. For a given magnetic field strength, the resonance frequency of carbon-13 is about one-fourth of the resonance frequency for...
6.9K
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

2.3K
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...
2.3K
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

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

1.4K
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.
1.4K
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

1.1K
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...
1.1K

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Related Experiment Video

Updated: Nov 16, 2025

Resonance Raman Spectroscopy of Extreme Nanowires and Other 1D Systems
07:44

Resonance Raman Spectroscopy of Extreme Nanowires and Other 1D Systems

Published on: April 28, 2016

15.3K

n-decane diffusion in carbon nanotubes with vibration.

Zhongliang Chen1, Xiaohu Dong1, Zhangxin Chen1

  • 1State Key Laboratory of Petroleum Resources and Prospecting, China University of Petroleum (Beijing), Beijing 102249, China.

The Journal of Chemical Physics
|February 20, 2021
PubMed
Summary
This summary is machine-generated.

Wall vibration significantly enhances n-decane diffusion in double-walled carbon nanotubes (DWNTs). Larger DWNTs show greater vibration enhancement, influenced by molecular interactions and confinement effects.

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Fabrication, Densification, and Replica Molding of 3D Carbon Nanotube Microstructures
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Area of Science:

  • Nanotechnology Engineering
  • Materials Science
  • Physical Chemistry

Background:

  • Carbon nanotubes (CNTs) are crucial in nanotechnology.
  • Understanding molecular diffusion within CNTs is vital for their applications.

Purpose of the Study:

  • Quantify wall vibration's effect on n-decane diffusion in double-walled CNTs (DWNTs).
  • Determine diffusion mechanisms influenced by DWNT diameter and vibration.

Main Methods:

  • Employed molecular dynamics simulations.
  • Generated mass density profiles for confined n-decane.
  • Analyzed root mean square fluctuation and mean squared displacement.

Main Results:

  • Confinement in DWNTs suppresses molecular fluctuations.
  • Largest self-diffusion coefficient observed in a 13.6 Å-diameter DWNT.
  • 207% diffusion enhancement in a 27.1 Å-diameter DWNT due to vibration.

Conclusions:

  • Wall vibration significantly enhances n-decane diffusion in DWNTs.
  • Diffusion is affected by n-decane-CNT interactions, confinement, and surface friction.
  • DWNT diameter plays a critical role in vibration-induced diffusion enhancement.