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杂环原子

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The accumulation of asphaltene in the system depends on the physical structure of ...

在沥青质分子单元叠积过程中,由沥青质的杂原子因素、过渡金属因素、芳香环结构因素和脂肪性侧链因素共同决定的化学作用的影响是第一位的,其中芳香环结构因素和杂原子因素的影响最为显著,而由稠油体系不稳定性构成的物理作用的影响则居于次要地位。

By introducing the concepts of atomic type and atomic attribute, MEDV was applicable to various molecular structures which contain the multiple bonds and heteroatom.

通过引入原子属性和原子类型的概念构建的MEDV,适用于描述含多个杂原子、饱和键与不饱和键、环和非环等分子结构特征。

The invention concerns a process for preparing heterocyclic carbenes of general formula in which R1, R2, R3 and R4 are identical or different and mean saturated or unsaturated, straight-chain, branched or cyclic, unsubstituted or substituted C1-C10 alkyl, C2-C5 alkylidene, C2-C5 alkylidine, C7-C19 aralkyl or C6-C14 alkyl groups, R3 and R4 can also stand for hydrogen or form jointly anellated, substituted or unsubstituted groups with between 3 and 7 carbon atoms and X stands for carbon or nitrogen, R3 being dropped if X is nitrogen.

本发明涉及一种制备通式Ⅰ的杂环碳烯的方法,其中在通式Ⅰ中,R1、R2、R3和R4是相同的或不同的,并且是饱和的或不饱和的,直链、支链或环状的,未取代或取代的C1-C10-烷基、C2-C5-亚烷基、C2-C5-次烷基、C7-C19-芳烷基或C6-C14-芳基基团,R3和R4可以是氢或它们一起形成具有3-7个碳原子的稠合的、取代或未取代的基团,X是碳或氮,并且当X是氮时,不存在R3。

In this paper,many achievements of studying on the synthesis,thermal decomposition properties and characteristics of the energetic complexes based on high-energetic compounds containing many nitrogen atoms such as carbohydrazide and 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one as well as tetrazole,etc.

概述了以高能多氮直链化合物如碳酰肼,富氮杂环化合物如三唑、四唑类为配体的配合物的合成、热行为以及性能的研究情况,同时简要地从分子或原子结构描述了一些其他多氮含能配体如肼、肼基甲酸甲酯等所形成的配合物的晶体结构以及热分解行为,并对含能配合物的发展方向进行了展望。

The results show that:(1) When Cu〓 equatorially coordinated by four nitrogen atoms from amine ligands such as ethylenediamine, N-methylethylenediamine, 1, 2-diaminopropane and 1, 4, 8, 11-tetraazacyclotetradecane, etc., Cu〓 could be axially coordinated by oxygen atoms of-SO〓 group.

研究结果表明:(1)当Cu〓在赤道平面与来自胺配体(如乙二胺、N-甲基乙二胺、1,2-丙二胺和1,4,8,11-四氮杂环十四癸烷等)的四个氮原子配位后,在轴向则可以与来自磺酸根离子的-SO〓基团氧原子配位。

In this article, weh ave utilized the ABEEM-σπ model to research this kind of reactions. Through regional softness values of both the atoms and π bonds, which are calculated by this model, we have interpreted properly the typical and particular stereoselectivity of Diels-Alder reaction. Furthermore, we also have initiatorily probed into the rationality and feasibility in terms of synthesizing heteroatomic -ring compounds using Diels-Alder reaction.

本文利用ABEEM-σπ模型对此类反应进行了研究,通过计算原子和π键区域的电荷分布和局域软度,结合局域硬软酸碱原理对Diels-Alder 反应的立体选择性给出了合理解释,而且还初步探讨了利用Diels-Alder 反应合成杂环化合物方法的合理性和可行性。

To explore new synthetic methods, we set out a careful investigation of the reaction of benzimidazolium salt with many nucleophilic agents, including the active aromatic compounds and heteratom nucleophilic agents, and found that the quaternary C=N is not so active; when benzimidazolium salt is reacted with big nitrogen nucleophilic agent? phthalimide, it does not give the expected addition product, instead, produces N-alkyl phthalimide through alkyl-transfermation from benzimidazolium salt to phthalimide.

为了开发新的合成方法,研究了苯并咪唑盐与各种亲核试剂(活泼芳环与杂原子亲核试剂)的反应,发现苯并咪唑盐不与活泼芳环及杂原子亲核试剂发生2位加成反应;在与体积较大的位阻型N亲核试剂邻苯二甲酚亚胺反应时,未得到亲核试剂与极化的C=N的加成产物,而是得到N烷基化的邻苯二甲酰亚胺,进一步研究表明,苯并咪唑盐将1(3)位N上的烷基转移给了邻苯二甲酰亚胺,并讨论了其反应机理和取代基,溶剂效应。

More importantly, tetrazole compounds are a group of energetic materials.

四唑化合物是含四个氮原子的五元杂环化合物。

Diamines are performed. An new and effective atom economy, domino reaction is developed, and 5, 6dihydro-4H-thieno [2, 3-b] thiopyran are synthesized by 4-(4-methyl-1, 3-dithiol-2-ylidene)-1, 7-diaryl-1, 6-diene-3, 5-dione

然后以4-[(4-甲基-1,3-二噻烷-2-亚甲基)-1,7-二芳基]-1,6-二烯-3,5-二酮类化合物为合成子探索稠杂环合成方法,并发现一个高效的,具有原子经济性的多米诺效应合成方法,并成功的利用其合成了一系列噻喃并噻吩衍生物。

The results available now indicate that glass-like carbon synthesized from phenolic resin is a non-graphitizing carbon, and consists of both sp 2-hybridized carbon atoms that form imperfect graphite structure and sp 3-hybridized carbon atoms that are due to the presence of disordered carbon; and in the fullerene-related structure of glass-like carbon, there exist some pentagons and heptagons carbon rings.

玻璃炭作为一种特殊炭材料已广泛应用于许多领域,其制备、性质、应用以及基本结构的研究已经取得了很大的进展,已有的研究结果表明酚醛树脂基玻璃炭是一种典型的非石墨化炭材料,由 sp2杂化态碳原子和 sp3杂态碳原子组成,且在其类富勒烯结构中存在五元环和七元环。

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