Abstract
Photolysis of ICN in an argon matrix leads to the formation of INC, identified by the appearance of three infrared absorption bands. The assignment is confirmed by comparing the vibrational frequencies and absorption band intensities with good quality ab initio calculations. The endothermicity of the isomerization reaction and the ground state barrier to INC formation is also computed. The good agreement between theory and experiment demonstrates the use of quantum chemical calculation as an analytical tool and highlights the partnership of experiment and theory in chemical research.
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