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1.
Ab initio molecular orbital calculations for N9, N−
9 and N+
9 isomers were carried out at the HF/ 6-31G*, B3PW91/6-31G*, B3LYP/6-31G* and MP2/ 6-31G* levels of theory. Stable equilibrium
geometric structures were determined by harmonic vibrational frequency analyses at the HF/6-31G*, B3PW91/6-31G* and B3LYP/6-31G*
levels of theory. The most stable free-radical N9 cluster is structure 1 with C
2
v
symmetry and that of anion N−
9 is structure 3 with C
s
symmetry. Only one stable structure of the N+
9 cation with C
2
v
symmetry was predicted. Their potential application as high-energy-density materials has been examined.
Received: 15 June 1999 / Accepted: 11 October 1999 / Published online: 14 March 2000 相似文献
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蜜蜂外激素9—ODA和9—HDA的合成 总被引:2,自引:0,他引:2
6-溴-2-己酮在Li2CuCl4催化下与γ-溴代巴豆酸甲酯进行格氏偶联,合成王物质9-羰基-(E)-2癸烯酸(9-ODA),将其还原得到了另一蜂王物质9-羟基-(E)-2-癸烯酸(9-HDA)。该法是合成9-ODA和9-HDA的新路线。 相似文献
4.
Diels-Alder reactions of a range of 1-(alkoxy/alkyl-substituted phenyl)buta-1,3-dienes with methyl vinyl ketone and methyl acrylate carried out in ethanol as the reaction medium under 9 kbar pressure were investigated. The use of high pressure as the activating method of the Diels-Alder reactions allows the efficient and endodiastereoselective generation of a series of cis-cyclohexenyl-benzene cycloadducts, which are selectively converted into their trans-epimers. The cis-cyclohexenyl-benzenes and trans-cyclohexenyl-benzenes produced are useful precursors for accessing substituted privileged cis-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene and trans-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene skeletons. The total syntheses of Δ(9)-cis-tetrahydrocannabinol (THC) and Δ(9)-trans-THC, through the use of selected Diels-Alder adducts, are described. Finally, a route for obtaining Δ(9)-trans-THC in both enantiomeric pure forms based on the (S)-(-)-1-amino-2-(methoxymethyl)pyrrolidine (SAMP)-hydrazone method is also reported. 相似文献
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Ruixian Deng Shuming Zhan Chunyu Li Prof. Dr. Zhenhua Gu 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(8):3117-3122
A transition-metal-free synthesis of spiro compounds from 9H-fluoren-9-ols mediated by hypervalent iodine is reported. In this reaction, an unprecedented β-carbon elimination of tertiary alkoxyliodine(III) to form new diaryliodonium salts is proposed. The obtained phenol intermediates undergo oxidative dearomatization to furnish a class of oxo-spiro compounds. This domino reaction significantly increases the complexity of these molecules and shows excellent regio- and stereoselectivity. 相似文献
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An efficient and mild method has been developed for the preparation of 9-oxiranyl-9H-purine derivatives. This reaction proceeds smoothly in β-cyclodextrin cavity at room temperature, giving good to excellent yields. 相似文献
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Four exotic chiral organocatalysts, 9-amino-(9-deoxy) cinchona alkaloids with (8S, 9R) and (8R, 9S)- configurations, were conveniently synthesized for the first time in 27-72% total yields through two conversions of configuration at the 9-stereogenic centers of commercially available cinchona alkaloids. 相似文献
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《Analytical letters》2012,45(9)
Abstract This is a scanned image of the original Editorial Board page(s) for this issue. 相似文献