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¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

1.3K
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...
1.3K
¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

1.1K
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...
1.1K
Benzene to 1,4-Cyclohexadiene: Birch Reduction Mechanism01:18

Benzene to 1,4-Cyclohexadiene: Birch Reduction Mechanism

2.3K
Birch reduction uses solvated electrons as reducing agents. The reaction converts benzene to 1,4-cyclohexadiene. The reaction proceeds by the transfer of a single electron to the ring to form a benzene radical anion. This anion is highly basic—it abstracts a proton from the alcohol to form a cyclohexadienyl radical. Another single electron transfer gives the cyclohexadienyl anion. A proton transfer from the alcohol forms 1,4-cyclohexadiene. Since this reduction occurs via radical anion...
2.3K
Structure of Benzene: Molecular Orbital Model01:18

Structure of Benzene: Molecular Orbital Model

9.4K
According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
9.4K
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

964
In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
964
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

19.4K
Molecular Orbital Energy Diagrams
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

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Breaking the Scaling Relationship on Single-Atom Embedded MBene for Selective CO2 Electroreduction.

Xiuxia Bai1, Zhonglong Zhao1, Gang Lu2

  • 1School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China.

The Journal of Physical Chemistry Letters
|May 30, 2023
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New single-atom catalysts show high efficiency for converting carbon dioxide (CO2) into valuable chemicals like methane and methanol. This breakthrough offers a promising route for clean energy production and environmental remediation.

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Electrochemical CO2 reduction reaction (CO2RR) is vital for sustainable energy and environmental solutions.
  • Current transition metal catalysts face limitations due to intermediate scaling relationships, hindering efficiency and selectivity.

Purpose of the Study:

  • To develop novel single-atom catalysts (SACs) for CO2RR that overcome traditional scaling limitations.
  • To explore the potential of transition metal atoms integrated into 2D Mo2B2 for enhanced CO2 conversion.

Main Methods:

  • Utilized first-principles calculations to investigate the catalytic properties of single-atom catalysts.
  • Employed a multisite functionalization strategy adapted for single-atom catalysis.

Main Results:

  • Identified Rh and Ir single atoms embedded in Mo2B2 (SA-Mo2B2) as exceptional CO2RR catalysts.
  • Demonstrated dual-site functionalization where single atoms bind carbon and adjacent Mo atoms bind oxygen, circumventing scaling relationships.
  • Achieved ultralow overpotentials for methane (-0.32 V) and methanol (-0.27 V) production.

Conclusions:

  • Single-atom catalysts on Mo2B2 offer a promising strategy to bypass scaling limitations in CO2RR.
  • Rh and Ir based SA-Mo2B2 catalysts exhibit remarkable activity and selectivity for producing valuable chemicals from CO2.