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Updated: May 15, 2025
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Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model
Published on: May 23, 2018
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A new electronic transition in vanadium fluoride, VF
Grant A Luce1, James Bradley1, Thomas D Varberg1
1Department of Chemistry, Macalester College, 1600 Grand Ave., St. Paul, Minnesota 55105, USA.
The Journal of Chemical Physics
|April 8, 2025
Summary
Researchers analyzed gas-phase vanadium fluoride using laser excitation spectroscopy. This study provides the second rotational analysis of a vanadium fluoride electronic transition, determining its molecular constants and bond length.
Area of Science:
- Chemical Physics
- Molecular Spectroscopy
- Quantum Chemistry
Background:
- Vanadium fluoride (VF) is a molecule with limited spectroscopic data.
- Electronic transitions in small transition metal compounds are crucial for understanding bonding and reactivity.
Purpose of the Study:
- To perform a rotational analysis of the [12.7]5Δ-X5Δ electronic transition of gas-phase vanadium fluoride.
- To determine precise molecular constants and the bond length of the ground state of VF.
Main Methods:
- Laser excitation spectroscopy was used to record the [12.7]5Δ-X5Δ (0-0) band of VF at 789 nm.
- Laser-induced fluorescence was detected via the [12.7]5Δ-X5Δ (0-1) band.
- An effective Hamiltonian in a Hund's case (a) basis was employed for least-squares fitting.
Main Results:
- The red-degraded [12.7]5Δ-X5Δ (0-0) band was successfully recorded and analyzed.
- All five main subbands (∆Ω = 0) were identified, showing only P and R branches characteristic of a parallel transition.
- The upper state exhibited significant local perturbations.
- Molecular constants for the X5Δ (v=0,1) and [12.7]5Δ (v=0) levels were determined.
- The equilibrium rotational constant Be = 0.38324(89) cm⁻¹ and bond length Re = 1.7829(21) Å for the ground state were derived.
Conclusions:
- This work represents the second reported rotational analysis of an electronic transition in VF.
- The determined molecular constants and bond length provide valuable data for theoretical and experimental studies of vanadium fluoride.
- The observed perturbations offer insights into the complex electronic structure of VF.
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