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Infrared Absorption Spectroscopy of HNC in the Region 2.6 to 3.1 &mgr;m
Northrup1, Bethardy, Macdonald
1Chemistry Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois, 60439
Journal of Molecular Spectroscopy
|February 3, 1998
Summary
Hot hydrogen atoms reacted with cyanogen halides to form HNC molecules. Spectroscopic analysis identified new vibrational bands, aiding in the determination of quadratic spectroscopic constants for HNC.
Area of Science:
- Chemical Physics
- Molecular Spectroscopy
- Quantum Chemistry
Background:
- The HNC molecule is a simple yet important chemical species.
- Understanding its spectroscopic properties is crucial for various chemical applications.
Purpose of the Study:
- To spectroscopically analyze vibrationally excited HNC molecules.
- To identify new vibrational bands and determine quadratic spectroscopic constants.
Main Methods:
- Generation of HNC molecules via reaction of translationally hot H atoms with ClCN or BrCN.
- Time-resolved infrared laser absorption spectroscopy for probing HNC products.
- Analysis of 16 vibrational bands in the 2.6 to 3.1 μm region.
Main Results:
- Identification of 8 new vibrational bands for HNC.
- Fitting of spectroscopic constants (Gv, Bv, Dv) to polynomials.
- Partial determination of quadratic spectroscopic constants due to unobserved coupled vibrational states.
Conclusions:
- The study significantly advanced the experimental determination of HNC's quadratic spectroscopic constants.
- New spectroscopic data provides a more complete understanding of this molecule's vibrational structure.