کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416184 | 1393803 | 2006 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Analysis of rotational structure in the high-resolution infrared spectrum and assignment of vibrational fundamentals of butadiene-2,3-13C2
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Analysis of rotational structure in the high-resolution infrared spectrum and assignment of vibrational fundamentals of butadiene-2,3-13C2 Analysis of rotational structure in the high-resolution infrared spectrum and assignment of vibrational fundamentals of butadiene-2,3-13C2](/preview/png/5416184.png)
چکیده انگلیسی
The 2,3-13C2 isotopomer of butadiene was synthesized, and its fundamental vibrational fundamentals were assigned from a study of its infrared and Raman spectra aided with quantum chemical predictions of frequencies, intensities, and Raman depolarization ratios. For two C-type bands in the high-resolution (0.002 cmâ1) infrared spectrum, the rotational structure was analyzed. These bands are for ν11 (au) at 907.17 cmâ1 and for ν12 (au) at 523.37 cmâ1. Ground state and upper state rotational constants were fitted to Watson-type Hamiltonians with a full quartic set of centrifugal distortion constants and two sextic ones. For the ground state, A0 = 1.3545088(7) cmâ1, B0 = 0.1469404(1) cmâ1, and C0 = 0.1325838(2) cmâ1. The small inertial defects of butadiene and two 13C2 isotopomers, as well as for five deuterium isotopomers as previously reported, confirm the planarity of the s-trans rotamer of butadiene.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 235, Issue 2, February 2006, Pages 181-189
Journal: Journal of Molecular Spectroscopy - Volume 235, Issue 2, February 2006, Pages 181-189
نویسندگان
Norman C. Craig, Michael C. Moore, Amie K. Patchen, Robert L. Sams,