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The splitting of potential energy curves for the states
$X^{2}\Pi _{3/2}$, $^{2}\Pi _{1/2}$ and $A^{2}\Sigma ^{ +}$ of
hydroxyl OH under spin--orbit coupling (SOC) has been calculated by
using the SO multi-configuration quasi-degenerate perturbation theory
(SO-MCQDPT). Their Murrell--Sorbie (M--S) potential functions have been
derived, then, the spectroscopic constants for $X^{2}\Pi _{3/2}$,$^{
2}\Pi _{1/2}$ and $A^{2}\Sigma ^{ + }$ have been derived from the
M--S function. The calculated dissociation energies for the three states are
$D_{0}$[OH($X^{2}\Pi _{3/2})$]=34966.632cm$^{-1}$,
$D_{0}$[OH($^{2}\Pi _{1/2})$]=34922.802cm$^{-1}$, and
$D_{0}$[OH($A^{2}\Sigma ^{ + })$]=17469.794cm$^{-1}$, respectively. The
vertical excitation energy $\nu [ {{ }^2\Pi _{1/2} ( {\nu = 0}
) \to {X}{ }^2\Pi _{3/2} ( {\nu = 0} )} ] =
139.6{\rm cm}^{-{\rm 1}}$. All the spectroscopic data for the
$X^{2}\Pi _{3/2}$ and $^{2}\Pi _{1/2 }$ are given for the
first time except the dissociation energy of $X^{2}\Pi _{3/2}$. 相似文献
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LIGuo-qiang JIAZhong-jian ZHANGShu-sheng 《高等学校化学研究》2003,19(4):422-424
Two new ionone derivatives, rhododendrone A and rhododendronside, have been isolated from the alco-holic extract of the aerial parts of Rhododendron Przewalskii Maxim. The structures of the two compounds, (3R, 6S)-3-hydroxy-a-ionone 1 and 1,1,5-trimethyl-6-(3-hydroxyl)cyclohexene-5-yl-1-β-D-pyranoglucoside 2, have been elucidated on the basis of the spectroscopic analyses. 相似文献
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MAJian-hua 《高等学校化学研究》2005,21(2):251-252
Active oxygen species have a carcinogenesis effect, and can cause mutation, cardiovascular diseases, inflammation and aging, etc. Hydroxyl radicals generated either from a radiolysis of water contained in biological tissues or from a redox cycling implicated in a wide range chemical toxicants, have been recognized as the extremely reactive oxidative species which can attack DNA bases and sugar moiety of nucleotides and lead to radiation or chemical injury of DNA and other biological targets. 相似文献
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A three-dimensional coordination polymer [Mn2(μ1.3-N3)4(μ-PP)2]n (PP = 3-(pyrazin-2-yloxy)-pyridine) has been synthesized with 3-(pyrazin-2-yloxy)-pyridine and azide anion as mixed bridge ligand, and its crystal structure was determined by X-ray crystallography. The crystal data: triclinic system, space group P1, with a = 6.794(4), b = 9.885(6), c = 9.947(6) A, α = 64.170(6), β= 84.190(8), γ= 85.319(8)°, V = 597.7(6)A^3, Z = 1, C18H14Mn2N18O2, Mr = 624.35, Dc = 1.735 g/cm^3, F(000) = 314 and μ = 1.117 mm^-1. In the crystal, the azide anion acts as a bridge ligand and makes adjacent Mn(Ⅱ) ions connect into a two-dimensional sheet on the ab plane, then 3-(pyrazin-2-yloxy)-pyridine serves as a bidentate bridge ligand to connect neighboring sheets along 相似文献
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Ali R. Kiasat Maryam Zayadi Mehdi Fallah Mehrjardi 《中国化学快报》2008,19(6):665-668
Silica sulfuric acid was developed as a stable and efficient heterogeneous catalyst in organic synthesis. This solid acid catalyzed the regioselective ring opening of epoxides by thiocyanate anion to give thiocyanohydrins as key intermediates in agricultural and pharmaceutical chemistry in high yields under solvent-free conditions. 相似文献
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JieYAN MinZHU 《中国化学快报》2005,16(4):453-456
Novel cyclic esters (1R, 2R, 3R, 5S, 7S, 9R, 12R)-3-(t-butyldimethylsilyl)oxy-7-methoxymethyloxy-2, 10-dimethyl-12-oxatricyclo [7.2.1.0^5,12] dodecane were prepared when their precursor 1 was treated with SOC12/pyridine. A plausible mechanism was hypothesized. 相似文献
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JinHuiYANG WeiDongZ.LI 《中国化学快报》2005,16(4):433-436
An effective approach for the construction of the decalin ring skeleton of labdane diterpenoids was developed based on a key biomimetic cationic polyene cyclization of an epoxy allylsilane precursor. The synthetic approach demonstrated here would be useful in the enantioselective and diastereoselective total synthesis of natural labdane diterpenoids in general. 相似文献