离子键

All these numerical results indicated that it needs more carefulness to explore the photoionization of the diatomic molecule in multi-color femtosecond laser

最后，利用含时波包和几率流算法计算了HD~+分子离子在断键过程中的瞬间成键电荷的重新分配，揭示了断键过程中瞬间电荷转移机理。

However, the thermal stability of metallic coordination polymer hardly enhanced in comparison with the polymer never coordinated transitional metallic ions. The reason might be that the energy of coordinate bond formed between metallic ion and polymer was trival in comparison with that of covalent bond in polymer. It started with coordinate bond when the coordinate polymer decomposed under high temperature, so it engendered little for the thermal stability at high temperature.

而金属配聚物较未配位金属的配体高温热稳定性提高不大，可能是由于金属离子与配体之间形成配位键的键能与配位体内的共价键键能相比要小得多，当金属配聚物受热裂解时，首先从配位键开始，因此对高温热稳定性的影响甚微。

The very low N—Cl bond energy in the parent ion of nitrosyl chloride is a clear reason for the absence of ClNO＋ and ClN＋ ion peaks from the femtosecond laser mass spectrum.

结果表明，ClNO母体离子中键能很弱的N-Cl键是造成飞秒质谱中母体离子ClNO+和碎片ClN+缺失的主要因素。

The Rydberg states of these amines arefirstly 2- or 3-photon resonantly excited, then the intermediate states are further excited toionization continuum.

一个明显的共同特点是母体离子由α-键断裂或拟-α键断裂产生的碎片离子强度很大。

As to thymine, the bond energy of the ion with the most stable tautomer of the free nucleic acid base is the weakest among the three tautomer＇ s complexes, and that of the ion with least stable tautomer of the free nucleic acid base is the strongest .

在互变异构体复合物中，键能是依赖于金属离子成键的位置，而总能量取决于全部的原子和它们之间的相对位置，这可能是造成几种互变异构体复合物键能和总能量变化趋势并不一致的原因。

The new opinion and mechanism that the simultaneously adsorption of complex pollution of both organic and heavy metals will be achieved on soil modified with amphoteric surface modifying agent, which have both charged group and organophilic group on one ASMA molecule, were proposed at first time, and its rationality was testified at the same time; The 50% was the critical CTMAB modifying ratio of soil CEC at which the organophilic bond modifying mechanism was emerged; The thermodynamic characteristics of adsorption of OPT and HMP on OMS were discovered ; The study revealed the surface peculiarity of OMS that the modifying agent were distributed at uneven scatter mode and multi-characters surface were coexisted on surface of OMS, revealed the adsorption peculiarity of OMS that multi-mechanisms were coexisted, confirmed the unequal charge amount modifying mode of OMS in which dual-modifying mechanism of both ion exchange and OPB were processed at the same time, and confirmed that the adsorption hobby to CTMAB was higher than that to Ca2+ on Lou soil.

首次提出了用两性表面修饰剂对土壤进行修饰改性，利用两性表面修饰剂所具有的荷电基团和疏水基团达到对土壤中有机、重金属污染物同时吸附的思路和机理，并通过实验证实了所提设想的合理性；发现了土壤CEC值的50%修饰比例是CTMAB开始显现以疏水键机制对土土样表面进行修饰的临界点；揭示了有机修饰改性土对有机物、重金属吸附过程的热力学特征，填补了该项研究工作的空白；阐明了修饰剂在改性土表面呈分散态的非均匀分布，改性土表面具有不同性质表面共存的表面特征和对污染物多机制共存的吸附特征，确定了阳离子表面修饰剂在土表面的修饰是一种离子交换和疏水键结合两种机制相伴并行且为非等电荷量交换的修饰反应模式，以及土具有对CTMAB的吸附偏好性远大于对钙离子吸附偏好性的特征。

The results showed that the MS2 fragmentation pathways of DASSSB were affected by the character and position of substitutes on salicylidene phenyl. The C=N cleaving to form fragmentation ion [M+H-283](superscript +) was dominant for DASSSB compounds with electron-donating group on the C4 of the salicylidene phenyl; while fragmentation ion [M+H-254] (superscript +) forming by C-C cleavage of the β-position of C=N was dominant for DASSSB compounds with electron-withdrawing group on the C5 of the salicylidene phenyl.

结果显示，这些化合物的ESI-MS/MS裂解方式与它们分子中水杨醛苯环上取代基的性质和位置有关：当水杨醛苯环上4位连接供电子取代基时，分子以CN双键断裂为主，生成[M+H-283]碎片离子；当水杨醛苯环上5位连接吸电子取代基时，分子以CN双键β位的C-C键发生断裂为主，生成[M+H-254]碎片离子。

The results showed that silver ion can complex with segregative carbon-carbon double bonds in DHA ester, with isolated C=C bonds in allyl ether and with conjugate C=C bonds in benzene individually.

研究结果表明，银离子可以与DHA乙酯的隔离碳—碳双键、烯丙醚的孤立碳—碳双键及苯的共轭碳—碳双键形成络合物。

The complexing properties of compounds 10a, 10b, 11a and 11b toward alkali metal ions were studied by 〓H NMR titration, ESI-MS, UV-Vis spectra, Fluoresence spectra and liquid-liquid extraction. The results show:(1) the 1:1 complexes were formed.(2) The calix-crown 10a, 11a have a higher selectivity for Na〓 ions, whereas 10b, 11b for K〓 ions.(3) The complexing ability toward alkali metal ions was enhanced when the calix-crown have side arm carbonyl.(3) The coordination of alkali metal ions toward phenoxy, carbonyl and crown ethereal oxygens take place by rotation around the carbon-carbon bond of carbonyl and methylene.

六，用〓H NMR滴定，ESI-MS，UV-Vis，Fluorescence，液-液萃取实验研究了10a，10b，11a和11b对金属离子的配位性质，研究结果表明：1）杯芳烃冠醚衍生物同碱金属离子形成了1：1配合物，化合物10a、11a对Na〓具有较高的配位能力，化合物10b、11b对K〓具有较高的配位能力；2）在杯冠醚环的旁边引入带有羰基氧原子的基团作为侧臂参与配位可以加强对碱金属离子的配位能力；3）金属离子分别同苯酚氧，羰基氧，聚氧醚链氧发生了配位，配位过程中侧链基团涉及到了羰基碳与亚甲基碳的碳碳键的旋转过程。

X-ray diffraction Rietveld refinement results indicate that La2Ni1- y Co y O4+δ compositions have an orthorhombic structure with Fmmm space group. The substitution of partial La3+ with Co at the B-site caused an increase in the length of Ni/Co—O1 bond in the ab plane and La/Sr—O2 bond along c axis.

研究结果表明， La2Ni1- y Co y O4+δ具有正交结构， Co离子取代增加了钙钛矿层中 ab 平面上Ni/Co—O键的键长、岩盐层中沿 c 轴方向上La—O键的键长和非化学计量氧含量，并有利于改善材料的烧结性能。

It has been put forward that there exists single Ball point and double Ball points on the symmetrical connecting-rod curves of equilateral mechanisms.

从鲍尔点的形成原理出发，分析对称连杆曲线上鲍尔点的产生条件，提出等边机构的对称连杆曲线上有单鲍尔点和双鲍尔点。

The factory affiliated to the Group primarily manufactures multiple-purpose pincers, baking kits, knives, scissors, kitchenware, gardening tools and beauty care kits as well as other hardware tools, the annual production value of which reaches US$ 30 million dollars.

集团所属工厂主要生产多用钳、烤具、刀具、剪刀、厨具、花园工具、美容套等五金产品，年生产总值3000万美元，产品价廉物美、选料上乘、质量保证，深受国内外客户的青睐