共查询到20条相似文献,搜索用时 31 毫秒
1.
M.C. McCarthyP. Thaddeus 《Journal of Molecular Spectroscopy》2002,211(2):235-240
The microwave rotational spectra of the carbon-13 isotopic species of H2C3, H2C4, and H2C5 have been observed in a pulsed supersonic molecular beam by Fourier transform microwave spectroscopy. At high resolution all of the rotational lines exhibit hyperfine structure produced by the magnetic interaction between the nuclear spin of 13C and the overall rotation of the molecule. The component of the nuclear spin-rotation tensor along the a-inertial axis is large for most isotopic species, especially at the carbene carbon; at this position Caa is two to three times larger than at other substituted positions along the chain. In contrast to both H2C3 and H2C3, in H2C4Caa exhibits a pronounced alternation along the carbon chain backbone. Following detection of the five carbon-13 isotopic species and D2C5, an experimental structure (r0) has been determined to high accuracy for H2C5. 相似文献
2.
Lu Kang 《Journal of Molecular Spectroscopy》2004,225(1):66-72
The rotational spectra of cyanophosphine, H2PCN, have been measured between 10 and 42.5 GHz by Fourier transform microwave spectroscopy. The rotational constants, centrifugal distortion constants, the 14N quadrupole coupling constant, and the nuclear spin-rotation coupling constants of 31P have been determined. Density functional ab initio calculations were performed, and the calculated values of the molecular constants are in excellent agreement with our experimentally determined results. The spectra of three isotopomers were measured, H2P12C14N, H2P13C14N, and H2P12C15N. The derived r0 structure is quite comparable to the ab initio predicted H2PCN equilibrium geometry. 相似文献
3.
R. D. Brown P. D. Godfrey D. McNaughton Peter R. Taylor 《Journal of Molecular Spectroscopy》1986,120(2)
The microwave spectra of six isotopic species of selenoformaldehyde, H213C78,80Se, D2C78,80Se, and DHC78,80Se have been assigned. The resultant rotational constants, together with those of previous work yield the following substitution structure: r(C=Se) = 175.31 pm, HCH = 117.93°, and r(C---H) = 109.04 pm. This structure is compared with the equilibrium structure derived from ab initio calculations. The fundamental vibrational frequencies and centrifugal distortion constants of H2C80Se have been calculated. 相似文献
4.
The pure rotational spectra of H212C17O and H213C17O have been investigated in the frequency region between 8 and 360 GHz in the ground vibrational state. For both isotopic species the 17O nuclear quadrupole coupling constants and spin-rotation constants have been obtained. From both Q- and R-branch transitions a set of rotational constants and several distortion constants could be derived employing Watson's formalism in A reduction. The obtained rotational constants are in Megahertz:
H212C17O | H213C17O | |||
281 965.0 (30) | 281 987.3 (19) | |||
37 812.287(45) | 36 776.790(25) | |||
33 214.523(31) | 32 412.920(19) |
H212C16O | H213C16O | H212C18O | H213C18O | |
A/MHz | 281 970.572 (24) | 281 993.258(135) | 281 961.94 (39) | 281 985.00 (93) |
B/MHz | 38 836.0456(13) | 37 811.0887(25) | 36 904.1693(66) | 35 859.256(10) |
C/MHz | 34 002.2034(12) | 33 213.9790(25) | 32 511.5311(63) | 31 697.868(10) |
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