在水中的纳米水分子的发现和它的特点及实验证实

我们从水的实验中发现了纳米水分子的存在,所谓的纳米水分子是由大量的水分子通过氢键连接起来的环状和线性的Clusters.我们用水的红外光谱发现了这种环状和线性的纳米水分子中的OH的对称和反对称振动分别对应于3415 cm-1 和3281 cm-1与3163 cm-1和3037 cm-1峰.又从水分子的极化实验,一阶相变的特点和庞建立的氢键系统中质子传递的理论所得出的结果进一步从实验和理论上证明了这种纳米水分子在水中的存在.这种纳米水分子能够导电,并能被磁化.因此,它的发现改变了我们对水的传统认识,并能对很多水的奇特能加以清楚的解释.     

在水中的纳米水分子的发现和它的特点及实验证实

我们从水的实验中发现了蚋米水分子的存在，所谓的蚋米水分子是由大量的水分子通过氢键连接起来的环状和线性的Clusters．我们用水的红外光谱发现了这种环状和线性的纳米水分子中的OH的对称和反对称振动分别对应于3415 cm^-1和3281 cm^-1与3163 cm^-1和3037cm^-1峰．又从水分子的极化实验，一阶相变的特点和庞建立的氢键系统中质子传递的理论所得出的结果进一步从实验和理论上证明了这种纳米水分子在水中的存在．这种纳米水分子能够导电，并能被磁化．因此，它的发现改变了我们对水的传统认识，并能对很多水的奇特能加以清楚的解释．     

磁化水的磁化机理研究

研究了搅拌状态下三种磁化水的物理性质.得到水的表面张力系数、黏度和密度随磁感应强度和磁化时间均呈现多极值增减变化关系.该实验规律虽亦有多篇文献报道,但至今尚无合理解释.本文从水的分子结构和氢键的特点出发,综合应用电磁学、结构化学和热学的相关理论对水的磁化机理作了进一步研究,对磁化水表面张力系数、黏度和密度的多极值现象给出了解释.研究认为,当将水体置于200 mT以上的磁场中磁化时,电子受到磁场作用或扰动,状态发生变化,影响了电子间的相互作用,使部分氢键断裂.由于形成氢键的条件易于满足,液态水在一定温度下氢 关键词： 磁化水 磁化机理 表面张力 氢键     

质子化水团簇对乙炔溶剂化作用的结构与红外光谱

利用团簇模型研究了质子化水团簇对乙炔的溶剂化作用. H⁺(C₂H₂)(H₂O)_n (n=1~5)的量子化学计算结果表明,水分子倾向与乙炔的π电子形成新型OH…π氢键作用,并且乙炔的第一溶剂层需要4个水分子来完成. 模拟的红外光谱揭示了OH…π氢键作用后的OH伸缩振动是研究乙炔与水溶剂化过程的灵敏探针. 这些红外光谱可以用红外光解离光谱实验方法测得,将为理解OH…π氢键作用以及质子化水团簇如何溶剂化乙炔提供有力的科学数据.     

基于时空变换恒定磁化的起始磁化曲线推算方法

起始磁化曲线作为铁磁材料磁学特性的重要表征, 研究其获取方法具有重要意义. 现有方法采用随时间变化磁场作为激励磁场, 通过改变激励磁场大小, 逐步改变试件内的磁场及磁感应强度并进行测量以得到起始磁化曲线, 效率较低, 准备繁琐. 为此, 本文从基本的磁学物理定理出发, 提出一种基于时空变换的起始磁化曲线推算方法. 该方法以细长棒状试件或环形试件作为被测试件; 采用恒定磁化在被测试件内产生空间变化磁场作为激励磁场; 通过测量试件表面的磁场值来推算试件内磁场值, 从而获取铁磁材料起始磁化曲线. 直流线圈恒定磁化环形和棒状试件仿真实验验证了该方法的理论正确性. 进一步地, 考虑实际应用限制因素的推算结果表明了该方法在实际应用中是可行的, 可为探索新的起始磁化曲线测量方法提供理论指导.     

PVP在水/丙酮混合溶剂中分子运动行为的研究

通过对粘度、自旋-自旋弛豫时间以及1H NMR谱的测定,研究了PVP在不同体积配比的水/丙酮溶液中的特性粘数变化和分子运动规律,并讨论了引起这些变化的原因.结果表明:随着丙酮的不断加入,PVP的特性粘数[η]先增加后减小,而T2H先减小后增大.[η]出现最大值也是T2H出现最小值的时候,丙酮的体积百分数为40%.丙酮的加入破坏了水分子间自身氢键相互作用形成的网状结构,解离出来的水分子被PVP优先吸附到大分子链上,部分与羰基形成氢键,另一部分以自由水的形式被包裹在大分子线团内.水分子的不断进入以及与水形成新的氢键使PVP链逐渐伸展,引起特性粘数的增大,分子运动受阻.当丙酮含量增加到一定程度时,水的含量不足以使大分子链继续膨胀,故链呈卷缩状态,使大分子运动逐渐恢复自由.1H NMR谱中各质子的化学位移变化也证实了此过程中的氢键变化规律.     

变温过程中二甲基亚砜与水之间氢键行为的拉曼光谱研究

测量了在降温过程中体积比为1∶1的二甲基亚砜(DMSO)水溶液的拉曼光谱,并对DMSO水溶液的拉曼光谱进行了归属。对实验数据进行分析发现: 在降温过程中DMSO分子与水分子的分子间氢键、DMSO分子与DMSO分子和水分子与水分子间氢键的作用行为引起了DMSO的SO双键和水分子的O—H键的拉曼谱带的变化。进一步分析表明：在27～-30 ℃降温过程DMSO与水之间氢键加强,-30～-60 ℃降温过程水与水之间氢键代替DMSO与水之间的氢键。这为丰富水溶液的氢键理论提供了实验依据。     

甲胺水合离子团簇的结构模型及红外光谱研究（英文）

本文利用量子化学计算方法,研究了甲胺和水复合离子团簇[(CH_3NH_2)(H_2O)_n]~+的几何结构、能量和红外光谱,揭示了结构生长模型、氢键作用机制和质子转移机理.研究结果表明,在[(CH_3NH_2)(H_2O)_n]~+团簇中,甲胺甲基上的一个氢原子转移到氨基上,形成分子内质子转移的CH_2NH_3~+离子核心结构模型,水分子作为氢键受体,与质子化氨基NH_3~+形成氢键.CH_3NH_2~+离子核心结构模型没有CH_2NH_3~+离子核心结构模型稳定.在团簇的红外光谱中,CH振动、自由NH振动、氢键结合的NH振动和OH振动模式在CH_3NH_2~+和CH_2NH_3~+两种离子核心结构模型的理论计算红外光谱中明显不同,因此可用于鉴别甲胺水合离子团簇的结构模型,有助于理解甲胺和水复合团簇的氢键网络结构.     

ATR-IR分析氢氧化钠对水及离子液体/水体系氢键作用的影响

利用衰减全反射红外光谱（ATR-IR）分析NaOH对水及1-乙基-3-甲基咪唑醋酸酯离子液体水溶液（EmimAc/水）氢键网络的影响,研究结果表明,NaOH的加入会影响水分子的氢键对称性和类型,对称性氢键谱带Ⅰ（3 218 cm-1）和Ⅱ（3 375 cm-1）随着NaOH浓度的提高而降低。NaOH使水溶液氢键发生极化,产生连续吸收带,连续吸收带随着NaOH浓度的提高而增强。水对EmimAc的阳离子和阴离子均有影响。水分子的OH和EmimAc的COO-产生强的相互作用,在3 400~3 200 cm-1产生宽的吸收谱带;而水分子的质子和COO-作用使得C═O吸收谱带红移。水的加入使得EmimAc指纹区的谱带蓝移或吸收强度下降,表明水可以破坏EmimAc原有的氢键网络,形成“阴离子…HOH…阴离子”团簇,减弱了离子液体阴、阳离子之间的相互作用。NaOH替代水与EmimAc混合,ATR-IR谱图的变化并不显著,主要表现在谱带的吸收强度上。与EmimAc/水相比,EmimAc/NaOH水溶液的ATR-IR谱的吸收强度更高,表明NaOH水溶液对EmimAc氢键网络的破坏不如水显著。由此可见,可利用EmimAc/NaOH体系降低离子液体体系黏度,并且降低离子液体使用成本,对木质纤维原料预处理有一定的指导意义。     

Infrared Spectra Characteristics of Zinc Hvdroxide and Zinc Oxide

一般认为,氢氧化物和氧化物的红外光谱极其简单,氢氧化锌主要是官能团区的羟基伸缩振动吸收峰和指纹区的Zn-O键弯曲振动峰,氧化锌只有指纹区的Zn-O键弯曲振动吸收,而事实上并非如此.本实验在高浓度的NaOH溶液中,用Zn (NO3)2·6H2O为原料制取了Zn(OH)2晶体,经低温干燥得ZnO,并研究了它们的红外光谱,结果表明:Zn(OH)2中有两处双峰,ZnO中有意外的-OH吸收峰,并对其形成原因进行了探讨.     

The conductivity properties of protons in ice and mechanism of magnetization of liquid water

From a study of electrical conductivity of protons in the hydrogen-bonded chains in ice we confirm that the magnetization of liquid water is caused by proton transfer in closed hydrogen-bonded chains occurring as a first order phase transition, through which the ice becomes liquid water. We first study the conductive properties of proton transfer along molecular chains in ice crystals in our model. Ice is a typical hydrogen-bonded molecular system, in which the interaction of localized fluctuation of hydrogen ions (H⁺) with deformation of a structure of hydroxyl group (OH) results in soliton motion of the protons along the molecular chains via ionic and bonded defects. We explain further the quantum conductive properties of proton transfer and determine its mobility and conductivity under constant electric-field using a new theory of proton transfer, which agree with experimental values. From features of first order phase-transition for ice, and some experimental data of pure and magnetized water we confirm further that there are not only free water molecules, but also many linear and closed hydrogen-bonded chains consisting of many polarized water-molecules in the liquid water. Thus a ring proton-current, which resembles to a “molecular current” or a “small magnet” in solids, can occur in the closed hydrogen-bond chains under action of an externally applied magnetic field. Then the water molecules in the closed chains can be orderly arrayed due to the magnetic interaction among these ring proton currents and the externally applied magnetic field. This is just the magnetized effect of the water. In such a case the optical and electronic properties of the water, including the dielectric constant, magnetoconductivity, refraction index, Raman and Infrared absorption spectra, are changed. We determine experimentally the properties of the magnetized water which agree with the theoretical results of our model. However, the magnetized effect of water is, in general, very small, and vanishes at temperatures above 100 ^○C.     

Investigation of changes in properties of water under the action of a magnetic field

The properties of water and their changes under the action of a magnetic field were gathered by the spectrum techniques of infrared, Raman, visible, ultraviolet and X-ray lights, which may give an insight into molecular and atomic structures of water. It was found that some properties of water were changed, and a lot of new and strange phenomena were discovered after magnetization. Magnetized water really has magnetism, which has been verified by a peak shift of X-ray diffraction of magnetized water + Fe₃O₄ hybrid relative to that of pure water + Fe₃O₄ hybrid, that is a saturation and memory effect. The properties of infrared and ultraviolet absorptions, Raman scattering and X-ray diffraction of magnetized water were greatly changed relative to those of pure water; their strengths of peaks were all increased, the frequencies of some peaks did also shift, and some new peaks, for example, at 5198, 8050 and 9340 cm⁻¹, occurred at 25°C after water was magnetized. In the meanwhile, the magnetized effects of water are related to the magnetized time, the intensity of an externally applied magnetic field, and the temperature of water, but they are not a linear relationship. The study also showed a lot of new and unusual properties of magnetized water, for example, the six peaks in 3000–3800 cm⁻¹ in infrared absorption, the exponential increase of ultraviolet absorption of wave with the decreasing wavelength of light of 200–300 nm, the frequency-shifts of peaks, a strange irreversible effect in the increasing and decreasing processes, as well as a stronger peak of absorption occurring at 50°C, 70°C and 80°C, the existence of many models of motion from 85°C to 95°C in 8000–10000 cm⁻¹, and so on. These results show that the molecular structure of water is very complicated, which needs further study. Furthermore, the macroscopic feature of mechanics, for instance, surface tension force of magnetized water, was also measured. Experiments discovered that the size in contact angles of magnetized water on the surface of hydrophobic materials decreases, thus the surface tension force of magnetized water decreases relative to that of pure water. It is seen from the above results that the clustering structure of hydrogen-bonded chains and polarization effects of water molecules are enhanced after magnetization. These results are helpful in revealing the mechanism of magnetization of water. Supported by the National Basic Research Program of China (Grant No. 2007CB936103)     

磁化水、自来水和蒸馏水的拉曼散射研究

对自来水、蒸馏水和磁化水进行了拉曼散射研究。发现:水经磁化后水分子结构未变化,氢键未断裂;磁化效果与磁化时间、磁场强度和磁化方式有关;静态磁化同样有效;水中离子在磁化过程中起重要作用。在离子水化理论基础上,对实验结果和磁化机理作了初步的解释和探讨。对磁水器的设计提出了建议。     

紫外分光光度法在检测磁化效果中的应用

用紫外分光光度法对几种物质分别作了经前后的吸收光谱,发现物质受磁化后其吸收峰的位置不变,但吸收强度发生了不同程度的变化,而且不同的磁化时间有不同的磁化效果。     

1,4-萘醌的太赫兹,远红外及低频拉曼光谱研究

本文对1,4-萘醌进行了太赫兹时域光谱,远红外吸收光谱及低频拉曼散射谱的测试研究。1,4-萘醌的太赫兹吸收光谱与远红外谱仪测得的光谱取得了在1.75 THz(58.3 cm-1)/1.63 THz(54.3 cm-1)等处吸收峰位基本相同、两者相互佐证和补充的结果。将太赫兹和远红外吸收谱与低频拉曼散射谱进行比较,表明两种选择机制不同的光谱在1.04,1.72和4.59 THz等处的峰位基本重合,结合群论的不可约表示理论分析,表明该样品在低频波段具有拉曼活性和红外活性的振动属性(A1、B1或B2)。采用Gaussi-an03软件的密度泛函理论B3LYP函数和6-311基组模拟单分子红外与拉曼光谱,结合实验分析,对部分分子基团或原子振转模式给与了指认。     

Synthesis and optical properties of a new lipophilic derivative of rhodamine B1

In this paper, a new rhodamine B lauryl amine (RBL) lipophilic derivative was synthesized by amidation of phenyl carboxylic group of RB with lauryl amine, and then its optical properties were studied on different conditions, such as varied excitation wavelengths, different kinds of solvents, pH values, etc. The results show that the absorption and emission spectra are significant different with the different structures of RBL. The absorption intensity of RBL in solvents with weak acidic proton was stronger than that in aprotic solvent because the former one can form hydrogen bond and thus stabilize the opened form of RBL. The fluorescence emission of RBL in dichloromethane and ethanol was stronger than that in acetone, tetrahydrofuran and water. It indicated that most of RBL molecules were in opened form in dichloromethane and ethanol, but in closed form in acetone, tetrahydrofuran and water. Finally, the influence of pH values was studied, and found that the intensity and position of absorption and emission peaks were almost the same in the whole acidic range, but changed a lot in alkaline medium.     

Neutron Scattering and Vibrational Spectra of Molecular Crystals

Infrared and Raman spectra of a number of molecular crystals have been measured for studying molecular vibrations and the intermolecular and intramolecular force fields. The infrared absorption bands arise from interaction of the electric wave with the oscillating dipole moment of the crystal. Raman scattering covers inelastic photon scattering processes and accordingly Raman lines arise from the oscillating polarizability of the crystal. Thus, the vibrational modes observed in infrared absorption or Raman scattering spectra are k = 0 modes, for which translationally equivalent molecules vibrate in phase.     

Optical spectroscopy on Se clusters and chains confined in zeolites

The incorporation of selenium into the supercages of zeolite Y leads to the formation of Se ₈ rings and distorted Se chains in a ratio which is influenced by the nature of the zeolitic cations. Here we review Raman (including resonance Raman) and UV/vis absorption spectroscopy results on Se encapsulated into a number of cation-exchanged faujasite zeolites. Both rings and chains give rise to characteristic Raman bands. In particular, low-frequency Raman bands are attributed to localized vibrations in ordered segments of distorted chains. The UV/vis absorption spectra indicate an opening of the band gap of selenium upon confinement in these zeolites. This can be reversed through electronic interaction with zeolite cations.Received: 1 January 2003, Published online: 14 October 2003PACS: 78.30.-j Infrared and Raman spectra - 82.75.Mj Measurements and simulation of properties (optical, structural) of molecules in zeolites     

利用拉曼光谱分析冰Ih相的表面薄层的氢键结构

水是生活中一种最基本且最重要的物质,由于它的一些奇特性质和反常物性,得到了广泛的研究,而拉曼光谱是研究水分子结构的一种非常合适的方法,它通过获得分子的振动和转动信息来理解分子结构和分子间的相互作用。在常压下测量了-20～-190 ℃温度范围内冰Ih相的表面薄层的拉曼光谱,实验结果发现随温度降低,冰Ih相的O∶H范德瓦尔斯键向高波数方向移动,而O-H极性共价键向低波数方向移动;且拉曼频移与温度呈线性关系,通过对不同振动模式的斜率进行比较,判断其键长的伸缩变化关系,从而证明了冰Ih相密度随温度的减小而增大,采用氢键理论(结构)给予了解释。同时,发现在-150 ℃时,O-H键反对称伸缩振动模式和O∶H键振动模式的拉曼峰强发生了突变,这表明冰Ih相发生了相变--冰Ⅺ相(冰Ih的质子有序相)。     

Infrared versus light scattering techniques to monitor the gel to liquid crystal phase transition in lipid membranes

In this study, Fourier transform infrared, Raman and Brillouin spectroscopy have been used to study lipid phase behavior of hydrated as well as dried multilamellar l ‐α‐phosphatidylcholine assemblies, in order to compare limitations and potentials of the different techniques. Dried lipid samples have been studied in the presence and absence of trehalose, which is known to affect the phase behavior of these systems. The methylene C‐H stretching (2800–3000 cm⁻¹) region in infrared (IR) and Raman spectra provided mutually consistent information on the rearrangement of lipid acyl chains occurring at the lipid melting temperature. IR spectra have a higher signal‐to‐noise ratio, thus permitting a more precise evaluation of the melting temperature. In the hydrated lipid samples, the C‐H stretching region in the Raman spectra is less affected by the contribution of water compared with that in the IR spectra. Raman spectra are particularly suitable to simultaneously study both lipid and water contributions allowing to distinguish ice from non‐frozen water below 0 °C. Brillouin light scattering was used to probe the collective dynamics, i.e. the propagation velocity and the attenuation of longitudinal acoustic modes in the lipid samples. Lipid phase transitions are evident from a change in the temperature behavior of the acoustic velocity. Moreover, a strong relaxation process with a characteristic time of 14 ps was observed in the sample dried without trehalose with a maximum in acoustic attenuation at about 45 °C, which likely reflects the rearrangement of acyl chains. Copyright © 2015 John Wiley & Sons, Ltd.