O-Nitrosobis(trifluoromethyl)hydroxylamine: unexpected conformational properties and an unusually long (CF3)2NO-NO bond. A combined study of the gaseous and solid states
| Autor: | Hans Georg Mack, Dietrich Mootz, Martin Frank Klapdor, How Ghee Ang, Wolfgang Poll, Yiew Wang Lee, Heinz Oberhammer, Whei-Lu Kwik |
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| Rok vydání: | 1993 |
| Předmět: |
Trifluoromethyl
Infrared spectroscopy General Chemistry Biochemistry Catalysis Bond length Crystallography chemistry.chemical_compound Colloid and Surface Chemistry Hydroxylamine Molecular geometry chemistry Computational chemistry Ab initio quantum chemistry methods Molecule Conformational isomerism |
| Zdroj: | Journal of the American Chemical Society. 115:6929-6933 |
| ISSN: | 1520-5126 0002-7863 |
| DOI: | 10.1021/ja00068a060 |
| Popis: | The conformational properties and the geometric structure of gaseous O-nitrosobis(trifluoromethyl)hydroxylamine, (CF 3 ) 2 N-O-N=O, have beeen studied by infrared spectroscopy, electron diffraction, and ab initio calculations. From the relative intensities and band contours of the two N=O vibrations, a mixture of 80(10)% trans-syn and 20(10)% trans-anti conformers (ΔG=G(syn)-G(anti)=0.8(3) kcal/mol) is derived (trans describes the orientation of the O-N bond relative to the CNC bisector and syn /anti refers to the orientation of N=O relative to N-O) |
| Databáze: | OpenAIRE |
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