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The temperature dependence of the 8920 Å band of NO<sub>2</sub> and the location of the 000–000 band of the transition
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1978
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High DispersionEngineeringTemperature DependenceAbsorption SpectroscopyComputational ChemistryChemistrySpectroscopic PropertySpectra-structure CorrelationThermophysicsThermodynamicsRoom Temperature SpectrumMolecular SpectroscopyPhysicsAtomic PhysicsPhysical ChemistryQuantum ChemistrySolid-state Physicå BandNatural SciencesSpectroscopyCondensed Matter PhysicsTemperature MeasurementApplied PhysicsWeak Absorption
The absorption spectrum of NO 2 cooled to −30 °C has been photographed at high dispersion in the wavelength region 8200–9100 Å. Comparison with the room temperature spectrum shows that weak absorption from the ground state of the molecule underlies slightly stronger 'hot' band absorption at 8920 Å. Franck–Condon calculations based on the relative intensities of absorption bands from the 000 and 010 vibrational levels of the molecule indicate that the 000–000 band of the [Formula: see text] electronic transition lies near 10250 Å (1.21 eV) with a possible uncertainty of one quantum of ν 2 ′ (0.09 eV). This result is in good agreement with the multiconfiguration SCF calculations of Gillispie and Khan (which are at variance with previous experimental deductions on the location of the 000–000 band).Some new assignments have been made in the rotational structure of the 8360 Å band.