ChemInform Abstract: Ab initio, CNDO/2 and Matrix Isolation Studies of 2-Hydroxypyrimidine IR Absorption Spectra

ChemInform ◽  
1990 ◽  
Vol 21 (27) ◽  
Author(s):  
L. LAPINSKI ◽  
R. CZERMINSKI ◽  
M. J. NOWAK ◽  
J. FULARA
Keyword(s):  
Ab Initio ◽  
Absorption Spectra ◽  
Matrix Isolation ◽  
Ir Absorption ◽  
Ir Absorption Spectra

scholarly journals Инфракрасные спектры комплекса фторотан-триметиламин в сжиженном криптоне

2021 ◽  
Vol 129 (4) ◽  
pp. 454
Author(s):  
С.М. Меликова ◽  
К.С. Рутковский
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Absorption Spectra ◽  
Enthalpy Of Formation ◽  
Fermi Resonance ◽  
Strong Increase ◽  
Ir Absorption ◽  
Ir Absorption Spectra ◽  
Anharmonic Interactions ◽  
The Enthalpy Of Formation

The IR absorption spectra of solutions of mixtures of halothane (C2HBrClF3) and trimethylamine ((CD3) 3N) in liquefied krypton were obtained and analyzed. Bands assigned to weak hydrogen-bonded complexes have been identified. The enthalpy of formation was estimated in a series of temperature experiments on the change in the integral intensities of the bands of monomers and complexes An extremely strong increase in the intensity of the second-order bands attributed to the first overtone of the bending CH vibrations of halothane was found. The effect is determined by strong anharmonic interactions of a resonant nature (Fermi resonance and Darling-Dennison resonance). The results of ab initio calculations reproduce the effects observed in the experiment.

Near-IR Absorption Spectra for the Buckminsterfullerene Anions: An Experimental and Theoretical Study

1992 ◽  
Author(s):  
Del R. Lawson ◽  
Daniel L. Feldheim ◽  
Colby A. Foss ◽  
Peter K. Dorhoug ◽  
C. M. Elliott
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Ir Absorption ◽  
Near Ir ◽  
Ir Absorption Spectra

Study of the Infrared Absorption Spectra of Some Pyridine Derivatives-Iodine Complexes

1976 ◽  
Vol 30 (2) ◽  
pp. 200-204 ◽  
Author(s):  
F. M. Abdel Kerim ◽  
F. Abou El Fotouh
Keyword(s):  
Complex Formation ◽  
Absorption Spectra ◽  
Infrared Absorption ◽  
Ir Absorption ◽  
Pyridine Derivatives ◽  
Thermodynamic Constants ◽  
Ir Absorption Spectra ◽  
Infrared Absorption Spectra ◽  
The Stability ◽  
Iodine Complexes

The ir absorption spectra of some pyridine derivatives-iodine complexes were measured in the region 400 to 1400 cm−1 and the results are discussed. The effect of complex formation on the intensities of some of the bands was investigated. The thermodynamic constants of these complexes were calculated. It was found that the stability of the complex depends to a large extent on the electronegativity as well as the position of the substituent on the pyridine nucleus. The structures of formed complexes are discussed.

scholarly journals Влияние концентрации примеси магния на электрические свойства кристаллов LiNbO-=SUB=-3-=/SUB=-

2021 ◽  
Vol 63 (10) ◽  
pp. 1566
Author(s):  
А.В. Яценко ◽  
С.В. Евдокимов ◽  
В.Ф. Шульгин ◽  
М.Н. Палатников ◽  
Н.В. Сидоров ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Absorption Spectra ◽  
Impurity Content ◽  
Threshold Value ◽  
Ir Absorption ◽  
Temperature Range ◽  
Polar Direction ◽  
Ir Absorption Spectra ◽  
Mg Content

Using the results of studying the electrical conductivity in the temperature range of ~ 295-460 K and the IR absorption spectra of a series of LiNbO3: Mg crystals, it is shown that as the Mg content in the sample increases, the mobility of H+ ions sharply decreases when moving along the polar direction. This effect is most clearly manifested in the samples of LiNbO3: Mg crystals with a high (above threshold value) impurity content.

IR absorption spectra of 1-aryl-3-pyrazolidones

1970 ◽  
Vol 6 (12) ◽  
pp. 1568-1571 ◽  
Author(s):  
B. E. Zaitsev ◽  
N. A. Andronova ◽  
R. B. Zhurin ◽  
L. B. Preobrazhenskaya
Keyword(s):  
Absorption Spectra ◽  
Ir Absorption ◽  
Ir Absorption Spectra
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