Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9591348 | Journal of Molecular Structure: THEOCHEM | 2005 | 5 Pages |
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
James O. Jensen,