Detail of "1112-02-3"

Reference

Effect of anharmonicity and vibration resonance interaction in the vibrational spectra of hydrogen-bonded crystals

Effect of anharmonicity and vibration resonance interaction in the vibrational spectra of hydrogen-bonded crystals. Gavrilko, T. A.; Puchkovskaya, G. A.; Yaremko, A.Chemicals with cas numbers 7782-68-5 and 1112-02-3 also play role. M. (Inst. Phys., Kiev 252650, USSR). J. Mol. Struct., 115, 99-102 (English) 1984. CODEN: JMOSB4. ISSN: 0022-2860. DOCUMENT TYPE: Journal CA Section: 73 (Optical, Electron, and Mass Spectroscopy and Other Related Properties) Absorption coeff. calcns. showed that strong optical and mech. anharmonicity of the OH group vibrations and the interaction between the main tone and the overtone of the other vibration of the same OH group and the same symmetry (Fermi resonance) lead to the formation of 2-phonon bound states (biphonons) seen in spectra as addnl. sharp bands. The IR and Raman bands halfwidth and shape of the main tone and the bound state were measured as a function of temp. and a possible theor. treatment was suggested. The anharmonicity parameters and low-frequency vibrations responsible for the temp. behavior of the main tone and of the biphonons were detd. .

Microwave spectrum of torsionally excited acetic acid

Microwave spectrum of torsionally excited acetic acid. Van Eijck, B. P.; Van Duijneveldt, F. B. (Dep.Chemicals with cas numbers 64-19-7 and 1112-02-3 also play role. Struct. Theor. Chem., Univ. Utrecht, Utrecht 3584 CH, Neth.). J. Mol. Spectrosc., 102(2), 273-88 (English) 1983. CODEN: JMOSA3. ISSN: 0022-2852. DOCUMENT TYPE: Journal CA Section: 73 (Optical, Electron, and Mass Spectroscopy and Other Related Properties) Section cross-reference(s): 75 The microwave spectrum corresponding to the 1st excited state of the Me torsion in acetic acid was identified by means of microwave-microwave double resonance. Although the A-E splittings are extremely large, a reasonable fit was obtained for the v = 0 and v = 1 states simultaneously by using a Hamiltonian which allows for geometry relaxation upon internal rotation. Barrier parameters are V3 = 169.90 ± 0.06 cm-1 and V6 = -6.74 ± 0.02 cm-1. An interpretation of the parameters describing nonrigidity is given in terms of a model with 2 relaxing bond angles, which is qual. supported by ab initio calcns. .