Article ID Journal Published Year Pages File Type
9591348 Journal of Molecular Structure: THEOCHEM 2005 5 Pages PDF
Abstract
The vibrational frequencies and corresponding normal mode assignments of cyanogen isocyanate (NCNCO) are examined theoretically using the gaussian98 set of quantum chemistry codes. All normal modes were successfully assigned to one of seven types of motion predicted by a group theoretical analysis (CO stretch, C-N stretch, CN stretch, CN stretch, NCO bend, NC-N bend, and N-CN bend). Theoretical infrared and Raman intensities are reported. The molecular orbitals and bonding of cyanogen isocyanate are examined.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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