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The infrared spectra (5000\u2013500 cm<jats:sup>\u22121<\/jats:sup>) of gaseous vinyl isocyanide, allenyl isocyanide, and propargyl isocyanide have been recorded at 0.1 cm<jats:sup>\u22121<\/jats:sup> resolution. When prepared on a gram scale to produce a partial pressure of 10 mbar after evaporation in the cell, these three isocyanides, which have previously been reported to be kinetically unstable, do not display any sign of decomposition when recording the spectra. Geometry optimizations and harmonic and anharmonic vibrational frequencies were calculated using the LCCSD(T) method with the cc\u2010pVTZ basis set. Anharmonic frequencies of fundamental, overtone, and combination transitions were calculated using a variational approach implemented in the P\u2002Anhar.v2.0 code, to assign the experimental data for each compound. These results improve our knowledge of these under\u2010investigated compounds and pave the way for other physicochemical studies on functionalized isocyanides.<\/jats:p>","DOI":"10.1002\/cphc.201402712","type":"journal-article","created":{"date-parts":[[2014,12,30]],"date-time":"2014-12-30T16:08:05Z","timestamp":1419955685000},"page":"848-854","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":11,"title":["Gas\u2010Phase Infrared Spectra of Three Compounds of Astrochemical Interest: Vinyl, Allenyl, and Propargyl Isocyanides"],"prefix":"10.1002","volume":"16","author":[{"given":"Abdessamad","family":"Benidar","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Didier","family":"B\u00e9gu\u00e9","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Falk","family":"Richter","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Claude","family":"Pouchan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammed","family":"Lahcini","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jean\u2010Claude","family":"Guillemin","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2014,12,30]]},"reference":[{"key":"e_1_2_6_1_2","unstructured":"The first synthesis of hydrogen cyanide previously called \u201cBerlin Blue acid\u201d is recalled in \u201cHistory of cyanide\u201d N. 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