کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9589419 1393797 2005 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
FT-FIR-spectrum and the ground state constants of D213CO
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
FT-FIR-spectrum and the ground state constants of D213CO
چکیده انگلیسی
The ground state spectrum of the formaldehyde D213CO molecule in the range from 25 to 360 cm−1 has been recorded by a Fourier transform infrared spectrometer. The quantum number limits of the assigned transitions are J = 6-54 and Ka = 0-16. The data was fitted into Watson's A- and S-reduced Hamiltonians in Ir-representation up to eighth order. The determinable constants calculated from both reductions are compared. The standard deviation of the far infrared data is 3.0 MHz. The spectroscopic constants are also calculated to high accuracy at the CCSD(T)/cc-pVQZ level of ab initio theory and agree well with the experimental ones.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 234, Issue 2, December 2005, Pages 279-285
نویسندگان
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