On determination of the analytical formulas for reduction matrices of tetrahedral-symmetry molecules

Cheglokov, A. E.; Ulenikov, O.N.

doi:10.1016/0022-2852(85)90211-5

Cited by 21 publications

(9 citation statements)

References 11 publications

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“…Таблица 2. Фрагмент найденных переходов в спектре молекулы 28 SiD 4 в районе пентады Элементы матрицы редукции (K) G m nŴ , которые представлены в формуле (5), определяются конкретной точечной группой симметрии. Индекс m определяет строку неприводимого представления D (K) .…”

Section: теоретические основы исследования спектров молекул высокой симметрииunclassified

“…Несмотря на многолетние исследования молекулярных спектров силана и его дейтерированных модификаций, многие спектральные диапазоны являются до сих пор неизученными. Таким образом, в настоящей работе мы продолжаем исследования внутримолекулярных свойств данной молекулы [10][11][12][13][14][15][16][17] на примере спектра изотопа 28 SiD 4 в районе пентады, где расположены две…”

Section: Introductionunclassified

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Спектр высокого разрешения полос ν-=SUB=-2-=/SUB=-+ν-=SUB=-4-=/SUB=- (F-=SUB=-1-=/SUB=-,F-=SUB=-2-=/SUB=-) и 2ν-=SUB=-4-=/SUB=- (F-=SUB=-2-=/SUB=-) дейтерированного силана -=SUP=-28-=/SUP=-SiD-=SUB=-4-=/SUB=-

Кузнецов¹,

Распопова²,

Бехтерева³

et al. 2021

Оптика И Спектроскопия

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A study of the fine rotational structure of the silane molecule absorption spectrum was carried out for the first time. The high-resolution spectrum of 28SiD4 was recorded in the 1260-1480 cm-1 spectral range the vibrational ν2+ν4 (F1,F2) and 2ν4 (F2) bands were theoretically analyzed. Rotational, centrifugal distortion, tetrahedral splitting and resonance interaction parameters of the upper vibrational states were obtained from the weighted least square fit method. The set parameters obtained reproduces the initial vibrational-rotational structure of the ν2 + ν4 (F1, F2) and 2ν4 (F2) bands with an accuracy of drms = 3.9 · 10-4 cm-1.

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Section: теоретические основы исследования спектров молекул высокой симметрииunclassified

Section: Introductionunclassified

Спектр высокого разрешения полос ν-=SUB=-2-=/SUB=-+ν-=SUB=-4-=/SUB=- (F-=SUB=-1-=/SUB=-,F-=SUB=-2-=/SUB=-) и 2ν-=SUB=-4-=/SUB=- (F-=SUB=-2-=/SUB=-) дейтерированного силана -=SUP=-28-=/SUP=-SiD-=SUB=-4-=/SUB=-

Кузнецов¹,

Распопова²,

Бехтерева³

et al. 2021

Оптика И Спектроскопия

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“…[30] where the algorithm of determination of the G-matrix elements in analytical form is presented for the XY 4 (T d symmetry) molecules). For the problem discussed in the present paper, the general formula, Eq.…”

Section: Hamiltonian Model Used For the Fit Of Experimental Datamentioning

confidence: 99%

High resolution study of strongly interacting ν1(A1)/ν3(<

Koshelev

Velmuzhov

Velmuzhova

et al. 2015

Journal of Quantitative Spectroscopy and Radiative Transfer

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“…This problem can be solved as follows: As discussed in Ref. 117, for a given irreducible representation D (J) , the number of G-matrix elements of a given symmetry ( a = A 1 , A 2 or E) determined using Eqs. (14)-(18) is always larger than the real number of irreducible representations of this symmetry to which the representation D (J) is reduced.…”

Section: Analytical Representation Of the G-matrix Elements For Thmentioning

confidence: 99%

Survey of the high resolution infrared spectrum of methane (12CH4 and 13CH4): Partial vibrational assignment extended towards 12 000 cm−1

Ulenikov

Bekhtereva

Albert

et al. 2014

The Journal of Chemical Physics

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We have recorded the complete infrared spectrum of methane (12)CH4 and its second most abundant isotopomer (13)CH4 extending from the fundamental range starting at 1000 cm(-1) up to the overtone region near 12,000 cm(-1) in the near infrared at the limit towards the visible range, at temperatures of about 80 K and also at 298 K with Doppler limited resolution in the gas phase by means of interferometric Fourier transform spectroscopy using the Bruker IFS 125 HR prototype (ZP 2001) of the ETH Zürich laboratory. This provides the so far most complete data set on methane spectra in this range at high resolution. In the present work we report in particular those results, where the partial rovibrational analysis allows for the direct assignment of pure (J = 0) vibrational levels including high excitation. These results substantially extend the accurate knowledge of vibrational band centers to higher energies and provide a benchmark for both the comparison with theoretical results on the one hand and atmospheric spectroscopy on the other hand. We also present a simple effective Hamiltonian analysis, which is discussed in terms of vibrational level assignments and (13)C isotope effects.

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On determination of the analytical formulas for reduction matrices of tetrahedral-symmetry molecules

Cited by 21 publications

References 11 publications

Спектр высокого разрешения полос ν-=SUB=-2-=/SUB=-+ν-=SUB=-4-=/SUB=- (F-=SUB=-1-=/SUB=-,F-=SUB=-2-=/SUB=-) и 2ν-=SUB=-4-=/SUB=- (F-=SUB=-2-=/SUB=-) дейтерированного силана -=SUP=-28-=/SUP=-SiD-=SUB=-4-=/SUB=-

Спектр высокого разрешения полос ν-=SUB=-2-=/SUB=-+ν-=SUB=-4-=/SUB=- (F-=SUB=-1-=/SUB=-,F-=SUB=-2-=/SUB=-) и 2ν-=SUB=-4-=/SUB=- (F-=SUB=-2-=/SUB=-) дейтерированного силана -=SUP=-28-=/SUP=-SiD-=SUB=-4-=/SUB=-

High resolution study of strongly interacting ν1(A1)/ν3(<

Survey of the high resolution infrared spectrum of methane (12CH4 and 13CH4): Partial vibrational assignment extended towards 12 000 cm−1

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On determination of the analytical formulas for reduction matrices of tetrahedral-symmetry molecules

Cited by 21 publications

References 11 publications

Спектр высокого разрешения полос &nu;-=SUB=-2-=/SUB=-+&nu;-=SUB=-4-=/SUB=- (F-=SUB=-1-=/SUB=-,F-=SUB=-2-=/SUB=-) и 2&nu;-=SUB=-4-=/SUB=- (F-=SUB=-2-=/SUB=-) дейтерированного силана -=SUP=-28-=/SUP=-SiD-=SUB=-4-=/SUB=-

Спектр высокого разрешения полос &nu;-=SUB=-2-=/SUB=-+&nu;-=SUB=-4-=/SUB=- (F-=SUB=-1-=/SUB=-,F-=SUB=-2-=/SUB=-) и 2&nu;-=SUB=-4-=/SUB=- (F-=SUB=-2-=/SUB=-) дейтерированного силана -=SUP=-28-=/SUP=-SiD-=SUB=-4-=/SUB=-

High resolution study of strongly interacting ν1(A1)/ν3(<

Survey of the high resolution infrared spectrum of methane (12CH4 and 13CH4): Partial vibrational assignment extended towards 12 000 cm−1

Contact Info

Product

Resources

About

Спектр высокого разрешения полос ν-=SUB=-2-=/SUB=-+ν-=SUB=-4-=/SUB=- (F-=SUB=-1-=/SUB=-,F-=SUB=-2-=/SUB=-) и 2ν-=SUB=-4-=/SUB=- (F-=SUB=-2-=/SUB=-) дейтерированного силана -=SUP=-28-=/SUP=-SiD-=SUB=-4-=/SUB=-

Спектр высокого разрешения полос ν-=SUB=-2-=/SUB=-+ν-=SUB=-4-=/SUB=- (F-=SUB=-1-=/SUB=-,F-=SUB=-2-=/SUB=-) и 2ν-=SUB=-4-=/SUB=- (F-=SUB=-2-=/SUB=-) дейтерированного силана -=SUP=-28-=/SUP=-SiD-=SUB=-4-=/SUB=-