排序方式: 共有44条查询结果,搜索用时 62 毫秒
1.
采用1HNMR谱研究了通式为〔M3ⅢO(OOCR)6L3〕+(M=Cr,Fe,Mn;R=CH3,C2H5,CH2NH2;L=C5H5N,H2O)的一系列氧心三核过渡金属配合物,主要考察其1H化学位移随金属、配体、温度、溶剂等因素变化而变化的规律。结果表明,骨架金属对化学位移的影响最大,M3O中的3个金属离子间存在反铁磁交换相互作用。对Mn配合物中顺磁中心对化学位移和线宽的影响机制的研究表明,其1H各向同性位移主要由接触作用贡献 相似文献
2.
3.
采用1H NMR谱研究了通式为[M3ⅢO(OOCR)6L3]+(M=Cr,Fe,Mn;R=CH3,C2H5,CH2NH2;L=C5H5N,H2O)的一系列氧心三核过渡金属配合物,主要考察其1H化学位移随金属、配体、温度、溶剂等因素变化而变化的规律.结果表明,骨架金属对化学位移的影响最大,M3O中的3个金属离子间存在反铁磁交换相互作用.对Mn配合物中顺磁中心对化学位移和线宽的影响机制的研究表明,其1H各向同性位移主要由接触作用贡献. 相似文献
4.
Radiation damping effects induced by the dominated solvent in a solution sample can be applied to suppress the solvent signal. The precession pathway and rate back to equilibrium state between solute and solvent spins are different under radiation damping. In this paper, a series of pulse sequences using radiation damping were designed for the solvent suppression in nuclear magnetic resonance (NMR) spectroscopy. Compared to the WATERGATE method, the solute signals adjacent to the solvent would not be influenced by using the radiation damping method. The one-dimensional (1D) 1H NMR, two-dimensional (2D) gCOSY, and J-resolved experimental results show the practicability of solvent suppression via radiation damping effects in 1D and 2D NMR spectroscopy. 相似文献
5.
6.
对面心立方(fcc)、体心立方(bcc)和六角密堆积(hcp)三种不同结构的晶体,在假设它们的原胞中包含8个价电子并将价电子近似为自由电子的情况下,采用“自由电子气理论”和“自由电子能带模型”,研究其根据费米球确定的费米能级EF与根据自由电子能带模型计算的平均键能Em。研究结果表明,由自由电子能带模型计算所得3种不同结构晶体(因而电子密度也不一样)的平均键能Em等于各自自由电子系统的费米能级EF。平均键能Em是我们在异质结带阶理论计算中建议的一种参考能级,研究结果在深化对平均键能Em物理实质认识的同时,提供了一种借助于自由电子能带模型计算自由电子系统费米能级EF的新方法。 相似文献
7.
本文采用EHT近似下的紧束缚能带方法,计算了NbX(X=C,N,O)的能带结构。结果表明,它们的能带结构相近,Nb—X间存在较强的成键作用,传导电子主要具有Nb的4d特征,Nb—Nb键与超导电性相关,从C到N,Nb—Nb键共价性削弱,Tc提高。尽管计算所得NbO中Nb—Nb键强度介于NbC和NbN之间,但其实际Tc却比NbC和NbN的都低,这是NbO的空位效应所致,这一结果可从我们对有序缺陷的Nb_(0.75)O_(0.75)晶体能带结构的计算得到验证。 相似文献
8.
Interactions between Bioactive Diperoxovanadate Complexes and Imidazole: Insights into Their Solution Structures by NMR and ESI-MS 总被引:1,自引:0,他引:1
1 INTRODUCTION As a required metal for some enzymes such as haloperidases and nitrogenases, vanadium com- pounds are capable of having many biological acti- vities. Similar to inorganic phosphates, vanadium compounds activate the functions of a numb… 相似文献
9.
Solvent Suppression in Intermolecular Magnetic Resonance Spectra Multiple-Quantum Coherence Nuclear with Only z-axis Gradients 下载免费PDF全文
The solvent peak in the intermolecular multiple-quantum coherence spectra can be suppressed by either applying pulse field gradients or spinning sample along the magic angle direction (φ = 54.7). However, these two methods also suppress the signals of the solute. We design two pulse sequences with only z-axis gradients to suppress the solvent peak without reducing the intensity of solute signals. Compared to the former pulse sequence, the latter pulse sequence is insensitive to the imperfection of pulse flip angles. When the flip angles of the second pulse sequence are purposely deviated 1/10 from the optimal values, the solvent peak is still weak. Theoretical expressions, experimental observations and computer simulations demonstrate that the two methods can be used to effectively suppress solvent peak in intermolecular multiple-quantum coherence spectra. 相似文献
10.
将平均键能方法推广应用于应变层异质结的价带和导带阶研究。通过平均带阶参数形变热amv来研究带阶参数Emv随应变状态的变化关系,发现平均带阶参数Emv.av=Em-Ev.av在不同应变状态下基本上保持不变。因此,在应变层带阶参数Emv的计算中,只需计算其发生应变前体材料的带阶参数Emv.o值并引用形变b和SO裂距△0的实验值,通过简便的代数运算即可得到应变层的Emv值,从而方便地预言不同应变层异质结的价带带阶。本文引入带隙形变势aGap来描述带隙改变量△Eg随应变状态的变化。由导带带阶和价带带阶的关系△Ec=△Eg △Ev可以求出不同应变情况下的导带带阶。 相似文献