氢键

分子中还存在着N与H原子间的分子内氢键。

The intra-molecule hydrogen bond between atom N and H was found .

内氢键对芳环~（13）C化学位移的影响

Effects of intramolecular hydrogen bond on ~ ( 13 ) c chemical shifts of aromatic rings

其中配合物1是通过氢键形成3D超分子网状结构。

Complexes 1 is formed 3D supramolecular net structure by hydrogen bonding .

这两种氢键可以通过OH伸缩振动模的振动谱得到直接证实。

Both can be directly recognized from the vibrational spectra of the OH stretch modes .

能够使配体平面性增强的分子内氢键的形成，有利于配合物对DNA的插入作用；

The formation of intramolecular hydrogen bonding extends the ligand planarity and increases the insertion ability of the complex to DNA .

在pH≤4.0时，形成氢键络合物的能力很微弱。

In the acidic medium ( pH ≤ 4.0 ), the ability of forming complex by hydrogen bonds is weaker .

C4H5N&（H2O）n氢键团簇的多光子电离与从头计算研究

Multiphoton Ionization and ab initio Calculation Studies of the Hydrogen-Bonded Clusters C_4H_5N - ( H_2O ) _n

通过电子布居分析，发现在电子给予体O原子和电子接受体H原子间存在氢键。

By population analysis the hydrogen bonding is found between the electron donor O atom and the electron acceptor H atom .

与咪唑型离子液体不同的是，阳离子中N原子形成的氢键是导致胺型离子液体的粘度的增大的原因。

With the Difference of imidazole-type ionic liquids , the hydrogen bonds formed by N atoms led to viscosity increase in Ammonium-type ionic liquids .

IR谱显示有机分子与高岭石的外羟基可能以氢键的形式相互作用。

The IR spectra provide evidence that the inner-surface hydroxyl groups of kaolinite are hydrogen bonded to intercalated DMSO molecules .

本文为MS用户初步解释了MS中的力场是如何处理氢键的重要疑问。

This paper will give MS users a primary explanation for the doubt how the MS software deals with H-bonding interaction .

非晶硅中的硅氢键与光致亚稳缺陷a－Si∶H中第二类亚稳缺陷的观察

Si-H Bond and Photo-Induced Metastable Defects in a-Si : H Observation of Second Kind of Light-Induced Metastable Defects in Intrinsic Hydrogenated Amorphous Silicon

在配合物2和配合物3中，镍（Ⅱ）原子和锰（Ⅱ）原子具有扭曲的N4O2八面体配位构型，晶体通过分子间氢键作用形成一维的无限链状结构。

The one-dimensional structures in 2 and 3 are formed through the intermolecular hydrogen bonds , respectively .

IR及理论分析结果表明，该凝胶因子是通过氢键、离子聚集体或金属配位作用聚集、自我组装形成凝胶的。

PAATEA gelator self-assembles into molecular gel by hydrogen bond , ionomer or metal coordination , which was proved by the FT-IR and theoretics analysis .

4-取代酰基PMP紫外光谱和氢键强度的研究

Study of UV Spectrum and Hydrogen bond Strength of Substituting Acyl-PMP

针对乙二醇-水-膜之间的氢键作用，考察了乙二醇和水之间的耦合效应对PVA膜溶胀吸附性能和渗透蒸发性能的影响。

The coupling effect was investigated in consideration of the hydrogen-bonding interaction among ethylene glycol , water and PVA membrane .

并提出了他们弱相互作用的三阶段模型：（1）表面活性剂分子和HA分子通过分子间氢键作用力相结合；

Three stages model of their weak interaction was put forward : ( 1 ) HA molecules and surfactant molecules combined through hydrogen-bonding ;

TGA结果表明氢键之间的相互作用力导致混合膜的热分解机理改变。

The hydrogen bonding interaction led to the change of decomposing mechanism of blends as determined by TGA .

共混物中POM与COPA分子间存在氢键作用。

Hydrogen bond interaction exists in the blends .

通过比较氢键占有率，我们发现非特异性结合体系的大部分氢键都属于蛋白质和磷酸根之间的氢键，这些氢键对于DNA碱基的直接识别贡献不大。

By comparing the hydrogen bond occupancy , we found that most hydrogen bonds for non-specific complex had a direct interaction with phosphate , and had little contribution to the direct base sequence recognition .

FT-IR和Raman光谱分析表明氢键形成的分子间β-折叠结构在蛋白质-蛋白质相互作用形成中发挥着重要的作用。

FT-IR and Raman spectroscopy showed the formation of hydrogen bonds between the molecular-folded structure of the protein-protein interaction formation played an important role .

氯离子及二个结晶水与分子中的N，O形成氢键，起到桥联分子的作用。

The chloride ion and the water molecules in the crystal form hydrogen bonds with the N , O atoms in molecule and join up the molecules of 4 - ( 2-pyridylazo ) resorcinol .

研究了丙烯酸树脂的种类对PVDF树脂涂料的影响，并根据氢键竞争理论对丙烯酸树脂与PVDF树脂混合体粘度的波动进行了分析讨论。

According to competition theory of hydrogen bonding the PVDF resin / acrylic resin mixture viscosity fluctuations were analyzed and discussed .

在DNA中C只能和G通过氢键连接，A只能和T连接，通过所谓氢键发生的这些作用将两条链连在一起。

In DNA a C can only hydrogen-bond with a G , and an A only with a T , these interactions , formed by so called hydrogen bonds , hold the two strands together .

阴离子型表面活性剂DSS也能与煤表面亲水性部分产生P型氢键吸附，其在煤表面吸附的自由能和平衡常数居中；

Anionic surfactant DSS can also adsorb at the hydrophilic zone of coal surface through P H-bond adsorption , however , gibbs free energy and equilibrium constant for DSS are moderate ;

甲基丙烯酸封端的复合乳液生成交联型聚合物，PU的硬段和硬段间的氢键也受到破坏。

While the containing the methacrylic end group is almost fully crosslinked , there is less hard-hard segment of PU hydrogen bond in the hybrid polymer .

氢键能使台区模量承受高温，在200℃时PU中的氢键仍能保留35%&40%。

The hydrogen bond could made PU withstand higher temperature , the hydrogen bond in PU remained 35 % - 40 % at 200 ° C .

HA模型化合物的IHT势垒与氧氢键键长变化和氢键键长变化呈良好的线性关系。

As for HA series compounds , IHT barrier is linear to the change of H-bond length orO-H bond length .

质子化NH基团和溶剂及阴离子之间存在多重氢键相互作用，这进一步稳定了此结构。

Multiple hydrogen bonds were observed between the protonated NH groups and the solvates / anions , which further stabilize this structure .

表明His和Asp间形成了强氢键，对降低丝氨酸和底物反应的活化能是重要的。

The formation of a strong hydrogen bond between His and Asp was shown to be important in lowering the activation energy in the reaction of Ser with substrate .