کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9589522 | 1506772 | 2005 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Microwave spectrum, molecular structure, dipole moment, and theoretical calculation of cyclopentanone oxime
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The microwave spectra of cyclopentanone oxime (C5H8NOH) and its deuterated species (C5H8NOD) were observed in the frequency region from 9 to 40 GHz. Only a-type R-branch transitions were assigned in the vibrational ground and excited states. The rotational constants of normal species were determined to be A = 5870.80(33), B = 1917.021(8), and C = 1526.784(8) MHz in the vibrational ground state, and A = 5870.16(43), B = 1842.707(9), and C = 1479.401(9) MHz for deuterated species. The dipole moments were determined as μa = 0.80(10), μb = 0.20(10), and μc = 0.40(10) D. The ring-puckering vibrational states were observed up to v = 6. The vibrational mode was nearly harmonic. The fundamental frequency of the ring-puckering mode was found to be 70(20) cmâ1. The molecular structure of cyclopentanone oxime was determined to be a twisted configuration by comparing the observed and calculated rotational constants, planar moment of inertia, Pcc, and rs coordinates of the hydroxyl hydrogen atom. On the molecular geometry, the bond angle, â C2C1N6 (Fig. 1), is larger than â C5C1N6 by ca. 6°, because of the steric repulsion between the methylene group of C2 atom and hydroxyl group.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 230, Issue 2, April 2005, Pages 125-132
Journal: Journal of Molecular Spectroscopy - Volume 230, Issue 2, April 2005, Pages 125-132
نویسندگان
Arata Murakami, Keizo Fujimaki, Shigeki Inoue, Nobuhiko Kuze, Takeshi Sakaizumi, Ponmalai G. Kolandaivel, Osamu Ohashi,