کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416086 | 1393794 | 2006 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Fourier transform microwave spectroscopy of isotopically substituted diacetylenes: rs-structure, quadrupole coupling, and anisotropic nuclear spin-spin interaction
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Monodeuterated diacetylene (HCCCCD) and its 13C-substituted species H13CCCCD, HC13CCCD, HCC13CCD, and HCCC13CD were investigated by Fourier transform microwave spectroscopy. The D nuclear quadrupole splittings were almost completely resolved. For H13CCCCD hyperfine splittings caused by the anisotropic nuclear spin-spin interaction between the H and 13C nuclei were also observed. The analysis yielded rotational constants, centrifugal distortion constants, and the constants for the nuclear quadrupole coupling and anisotropic nuclear spin-spin interaction. The substitution structure of HCCCCD was calculated as follows: rs(C-H)Â =Â 1.056054(39)Â Ã
, rs(CC)Â =Â 1.208631(4)Â Ã
, rs(C-C)Â =Â 1.374117(6)Â Ã
, rs(CC)Â =Â 1.208116(4)Â Ã
, and rs(C-D)Â =Â 1.056231(17)Â Ã
, in the order of the arrangement of the bonds. A rough estimate of the equilibrium structure is also presented. The eQq constant for the deuterium nucleus is 0.2061(4) MHz. The anisotropic 13C-H spin-spin interaction constant was experimentally determined for the first time as b = â29.2(15) kHz, which is defined as the coefficient of (3I2zI3z â I2 · I3), where I2 and I3 denote the H and 13C nuclear spins, respectively, and I2z and I3z their components along the molecular axis. The observed b constant is not accounted for by the direct magnetic dipole-dipole interaction only, suggesting a significant contribution from indirect anisotropic interaction.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 240, Issue 1, November 2006, Pages 120-126
Journal: Journal of Molecular Spectroscopy - Volume 240, Issue 1, November 2006, Pages 120-126
نویسندگان
Keiji Matsumura, R.D. Suenram, F.J. Lovas, Takehiko Tanaka,