Fourier Transform Emission Spectroscopy of the

Area of Science:

• Molecular Spectroscopy
• Quantum Chemistry
• Atomic and Molecular Physics

Background:

• The emission spectrum of Zirconium Chloride (ZrCl) is crucial for understanding its electronic structure and molecular properties.
• Previous studies have identified some transitions, but a comprehensive analysis, especially in the near-infrared region, was lacking.

Purpose of the Study:

• To thoroughly investigate and characterize the emission spectrum of ZrCl in the 1800-12000 cm(-1) region.
• To identify and classify new electronic transitions and vibrational bands.
• To determine spectroscopic constants and analyze perturbations in the electronic states.

Main Methods:

• Observation of the ZrCl emission spectrum using Fourier transform spectroscopy.
• Excitation of ZrCl molecules via microwave discharge in a helium and ZrCl(4) vapor mixture.
• Classification of spectral bands and rotational analysis to determine spectroscopic constants.

Main Results:

• Identified and classified numerous new bands into two electronic transitions: [7.3](2)Delta-a(2)Phi and [9.4](2)Phi-a(2)Phi.
• Assigned five new bands to subbands of the [7.3](2)Delta-a(2)Phi transition, including higher vibrational levels.
• Determined spectroscopic constants and observed global perturbations in both spin components of the a(2)Phi state.

Conclusions:

• The study provides a detailed spectroscopic characterization of ZrCl, expanding the knowledge of its electronic transitions.
• The findings contribute to the understanding of molecular spectroscopy and electronic structure, supported by theoretical calculations.
• Observed perturbations offer insights into the interactions between electronic states in ZrCl.