نتایج جستجو برای: vibrational spectra
تعداد نتایج: 123243 فیلتر نتایج به سال:
Most organic compounds provide vibrational spectra within the CH stretching region, yet the signal is difficult to interpret because of multiple difficulties in experiment and modeling. To better understand various factors involved, the ability of several harmonic and anharmonic computational approaches to describe these vibrations was explored for α-pinene, fenchone, and camphor as test compou...
Trifluormethylazosulfon-N,N-dimethylamid, Vibrational Spectra, NMR Spectra, Mass Spectra, Crystal Structure The reaction of Trifluoronitrosomethan with (CH3)2NS(0 )2NH2 in THF and Na2C 0 3 as base give the yellow liquid (CH3)2NS(0 )2NNCF3. The new compound melts at 283 K and were characterized by vibrational, NMR and mass spectra. In addition, the crystal structure of (CH3)2NS(0 )2NNCF3 has bee...
Molecular distortion of dynamic molecules gives a clear signature in the vibrational spectra, which can be modeled to give estimates of the energy barrier and the sensitivity of the frequencies of the vibrational modes to the reaction coordinate. The reaction coordinate method (RCM) utilizes ab initio-calculated spectra of the molecule in its ground and transition states together with their rel...
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