Substitution structure of cyanogen, NCCN, from high-resolution far infrared spectra

✍ Scribed by John C. Grecu; Brenda P. Winnewisser; Manfred Winnewisser

• Book ID: 104151754
• Publisher: Elsevier Science
• Year: 2003
• Tongue: English
• Weight: 420 KB
• Volume: 218
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1016/s0022-2852(02)00092-9

✦ Synopsis

The lowest lying vibrational bands of the gas-phase spectra of cyanogen, NCCN, and four of its isotopomers, 15 NCCN, N 13 CCN, 15 NCC 15 N, and N 13 C 13 CN, were recorded with a Fourier transform interferometer. The resolution was limited by the maximum optical path difference (MOPD) attainable with the interferometer to FWHM ¼ 0:0012 cm À1 . Rovibrational transitions of the m 5 (% 230 cm À1 ) and also the m 2 -m 5 (% 610 cm À1 ) band systems were assigned for all five isotopomers. The use of an effective Hamiltonian for linear molecules to fit the data yielded precise spectroscopic vibrational and rotational constants for the vibrational states 02), ( 03), and (01000). These data include the first rotationally resolved transitions involving (01000). Complete substitution (r s ) structures of cyanogen, based on both single and double isotopic substitution of the parent species, were calculated. The derived structure is r CC ¼ 138:48ð17Þ pm and r CN ¼ 115:66ð13Þ pm. The two r s structures coincide within the errors due to remaining contributions of zero-point vibrations.