کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5415490 | 1393760 | 2009 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Microwave spectrum of the OD-OH2 complex: A strong deuterium isotope effect on angular momentum quenching in the hydroxyl moiety
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
Microwave spectra of the hydrogen bonded complex 16OD-16OH2 have been recorded using pulsed-nozzle Fourier transform microwave spectroscopy. The potential splitting, Ï, which describes the partial quenching of the OD orbital angular momentum upon complexation, is determined to be â142.703173(65) cmâ1. Within the spectroscopic model employed, this value implies an energy difference of 202.46 cmâ1 between the ground (2Aâ²) and first excited (2Aâ²â²) states of the complex. The observed value of Ï represents a rather large change of 3.85710(11) cmâ1 relative to that in the parent complex and implies a 1.30 cmâ1 decrease in the 2Aâ²-2Aâ²â² energy spacing relative to the parent species. Comparison with previous results for the 18OH complex suggests that these changes likely arise from changes in vibrationally averaged geometry upon deuteration. Magnetic hyperfine structure from the deuterium and the water protons is analyzed, as is the nuclear electric quadrupole coupling of the deuterium nucleus. Assuming negligible changes in the axial component of the electric field gradient at the deuterium upon complexation, the deuterium quadrupole coupling constant implies an average angular excursion of the OD bond axis from the vibrationally averaged a-inertial axis of the complex of â¼24°.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 253, Issue 1, January 2009, Pages 35-40
Journal: Journal of Molecular Spectroscopy - Volume 253, Issue 1, January 2009, Pages 35-40
نویسندگان
Shenghai Wu, Galen Sedo, Kenneth R. Leopold,