Infrared spectral evidence of N=C-C=C-N=C: Photoisomerization of N=C-C--C-C=N in an argon matrix
作者： Alice M. Smith , Günter Schallmoser , Anton Thoma , Vladimir E. Bondybey
DOI: 10.1063/1.464266
关键词: Fluorescence spectrometry 、 Analytical chemistry 、 Photodissociation 、 Vibronic spectroscopy 、 Dicyanoacetylene 、 Matrix isolation 、 Infrared spectroscopy 、 Ab initio 、 Isotopomers 、 Chemistry
摘要: Ultraviolet (UV) laser photolysis of dicyanoacetylene, N≡C–C≡C–C≡N, isolated in an argon matrix at 16 K produces the iso‐nitrile, N≡C–C≡C–N≡C, sufficient concentration for direct Fourier‐transform‐infrared measurements all five stretching vibrational fundamentals. The assignments ν1 (2287.1 cm−1), ν2 (2203.6 ν3 (2044.8 ν4 (1202.3 and ν5 (610.1 cm−1) are supported by a normal coordinate analysis using 20 frequencies from 7 isotopomers ab initio results Botschwina et al. di‐isonitrile C≡N–C≡C–N≡C is also produced small amounts its infrared‐active asymmetric stretches assigned as (2114.9 (1287.5 cm−1). As isotopic N≡C–C≡C–C≡N were measured first time, disputed three totally symmetric vibrations re‐examined through analysis. Laser‐induced fluorescence Fourier‐transform‐spectrometer during reveals 1Σg+←3Σu+ e...
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