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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Resonant two-photon ionization spectroscopy of BNB
Hongbin Ding1, Michael D Morse, Cristina Apetrei
1Departement Chemie, Universität Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland.
The Journal of Chemical Physics
|November 30, 2006
Summary
Triatomic boron nitride (BNB) was studied using laser ablation and spectroscopy. This research determined precise spectroscopic constants and bond lengths for BNB isotopomers, aiding molecular structure understanding.
Area of Science:
- Molecular Spectroscopy
- Physical Chemistry
- Chemical Physics
Background:
- Triatomic boron nitride (BNB) is a molecule of interest in chemical physics.
- Understanding its electronic and structural properties is crucial for related molecular systems.
Purpose of the Study:
- To investigate the B 2Pi(g)-X 2Sigma(u)+ band system of triatomic BNB.
- To determine precise spectroscopic constants and bond lengths for different BNB isotopomers.
Main Methods:
- Production of BNB via laser ablation of a boron nitride rod in a supersonic expansion of helium.
- Investigation using resonant two-photon ionization spectroscopy in the visible region.
- Rotational resolution and analysis of the B 2Pi(g)-X 2Sigma(u)+ band system.
Main Results:
- The B 2Pi(g)-X 2Sigma(u)+ band system of BNB was recorded near 514 nm.
- Spectroscopic constants and bond lengths were determined for both (10)B(14)N(11)B and (11)B(14)N(11)B isotopomers.
- Accurate rotational constants (B0) and spin-orbit coupling constants (A0) were derived, yielding precise B-N bond lengths.
Conclusions:
- The study provides detailed spectroscopic data for triatomic BNB.
- The findings are discussed in relation to Walsh's rules and compared with related molecules.
- This work contributes to the understanding of the electronic structure and geometry of small boron nitride clusters.
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