Theoretical study of the dissociation energy and the red and violet band systems of CN

Details Theoretical study of the dissociation energy and the red and violet band systems of CN Theoretical study of the dissociation energy and the red and violet band systems of CN

Sep 1988

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1988apj...332..531b&link_type=abstract

Astrophysical Journal, Part 1 (ISSN 0004-637X), vol. 332, Sept. 1, 1988, p. 531-538.

Astronomy and Astrophysics

Astrophysics

93

Astrophysics, Cn Emission, Free Radicals, Gas Dissociation, Spectral Bands, Ground State, Nitric Oxide, Oscillator Strengths, Radiative Lifetime, Visible Spectrum

Scientific paper

The dissociation energy (D0) of CN is determined to be 7.65±0.06 eV. This corresponds to ΔHf(CN) = 105.3±1.5 kcal per mole. This result is obtained not only from extensive ab inition MRCI calculations using a very large Gaussian basis set, but also from extrapolation of the directly computed value by comparison of computed and experimental results for NO, C2, and N2. The lifetime of the υarcmin = 0 level of the violet (B2Σ+ → X2Σ+) system has been completed to be 62.4 ns. Lifetimes for the red (A2Π → X2Σ+) system decrease with increasing υarcmin, which is consistent both with recent experiment and calculations.

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