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铝在MCM-22分子筛骨架上分布的^(27)Al MQ MAS NMR研究 被引量:8
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作者 陈雷 邓风 叶朝辉 《物理化学学报》 SCIE CAS CSCD 北大核心 2003年第9期805-809,共5页
利用二维多量子魔角旋转(2D MQ MAS)技术并结合量子化学计算,研究了铝在MCM-22分子筛骨架上的分布,并对铝的不等价四面体位进行了归属.在^(27)Al 2D 5Q MAS NMR谱中骨架四配位铝的范围内观察到3个信号,证明MCM-22分子筛有3种骨架铝.经... 利用二维多量子魔角旋转(2D MQ MAS)技术并结合量子化学计算,研究了铝在MCM-22分子筛骨架上的分布,并对铝的不等价四面体位进行了归属.在^(27)Al 2D 5Q MAS NMR谱中骨架四配位铝的范围内观察到3个信号,证明MCM-22分子筛有3种骨架铝.经计算这3种骨架四配位铝的各向同性化学位移和四极作用常数分别为:δ50.5、δ57.3、δ62.4和1.74、1.68、1.92 MHz.MCM-22分子筛结构中有8种结晶学不等价四面体(T)位.我们通过模拟MCM-22分子筛的^(27)Al 2D 5Q MAS NMR谱,认为8种不等价T位分为3组.T2、T6位上的铝分别与δ61、δ49处的信号相关,T1、T3、T4、T5、T7、T8位上的铝对δ56处的共振峰有贡献.当硅铝原子数比(Si/Al)在10~15之间变化时,铝在MCM-22分子筛的骨架上是无规占据的. 展开更多
关键词 MCM-22 分子筛 骨架 分布 27Al mq MAS nmr 量子化学计算 分析化学
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Direct Observation of Various Al Sites in SAPO-34 by ^(27)Al Multiquantum (MQ) Magic Angle Spinning (MAS) NMR 被引量:2
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作者 Zhi Min +4 位作者 YAN Jian Qin ZHUANG 《Chinese Chemical Letters》 SCIE CAS CSCD 2003年第1期87-90,共4页
The elegant 2D multiquantum (MQ) MAS NMR has been applied to investigate the coordination of Al atoms in SAPO-34. The results show that the effects of the template and/or water on the coordination of Al atoms are sig... The elegant 2D multiquantum (MQ) MAS NMR has been applied to investigate the coordination of Al atoms in SAPO-34. The results show that the effects of the template and/or water on the coordination of Al atoms are significant, which lead to the formation of various Al species. Up to four kinds of Al species are distinctly resolved. 展开更多
关键词 SAPO-34 ^(27)Al mq MAS nmr ^(27)Al MAS nmr structure.
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高阶多量子跃迁的一维直接检测──Raman磁共振方法
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作者 周志发 缪希茄 +1 位作者 黄永仁 叶朝辉 《波谱学杂志》 CAS CSCD 北大核心 1999年第6期505-511,共7页
研究了异核AX3自旋体系的初始态为最高阶量子相干态时的Raman磁共振谱.研究表明,唯有制备高阶多量子相干的初始态时才有可能对高阶多量子跃迁进行有效检测.积算符理论的精确性使得理论上准确地预言了Raman磁共振谱中各阶多量子跃迁... 研究了异核AX3自旋体系的初始态为最高阶量子相干态时的Raman磁共振谱.研究表明,唯有制备高阶多量子相干的初始态时才有可能对高阶多量子跃迁进行有效检测.积算符理论的精确性使得理论上准确地预言了Raman磁共振谱中各阶多量子跃迁频率、谱线强度,使得各阶多量子跃迁频率相互交错时仍有可能解析谱图.在Raman磁共振实验中采用了正负频偏交替变化采样的方法,对单量子信号进行压制。 展开更多
关键词 核磁共振 Raman磁共振普 高阶多量子跃迁
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RAMAN MAGNETIC RESONANCE IN AX_n SYSTEMS 被引量:2
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作者 杨代文 叶朝辉 《Science China Mathematics》 SCIE 1992年第7期842-852,共11页
It is demonstrated in terms of heteronuclear coupling systems AX_n (n=1, 2 and 3) that multiple quantum (MQ) transitions of various orders can be displayed in the perturbation of a weakly continuous wave (CW) R. F. fi... It is demonstrated in terms of heteronuclear coupling systems AX_n (n=1, 2 and 3) that multiple quantum (MQ) transitions of various orders can be displayed in the perturbation of a weakly continuous wave (CW) R. F. field. The effect of CW frequency offset and R. F. field strength on the observed MQ transition is discussed. The one-dimensional (1-D) MQ NMR has some advantages, such as high sensitivity, easy assignment of its spectrum, only requiring 1-D Fourier transform. Therefore it has a broad prospect for application. The Raman effect produced by the CW irradiation is interpreted. 展开更多
关键词 multiple quantum (mq) nmr ONE-DIMENSIONAL mq nmr RAMAN magnetic resonance (RMR).
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DIRECT MEASUREMENT OF MULTIPLE QUANTUM RELAXATION TIME
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作者 叶朝辉 许平 《Science China Mathematics》 SCIE 1991年第4期430-442,共13页
A multiple quantum coherence (MQC) with a given order subjected to its own relaxa-tion decay in the evolution period can be transferred into observable single quantum (SQ)coherences in the detection period, the MQ rel... A multiple quantum coherence (MQC) with a given order subjected to its own relaxa-tion decay in the evolution period can be transferred into observable single quantum (SQ)coherences in the detection period, the MQ relaxation time in a spin system, therefore, canbe directly measured by the 1-dimensional (1-D) Hahn echo method since the amplitudes ofSQC’s are modulated by the decayed MQC. This 1-D approach is an alternation to the 2-Dmeasurement for MQ relaxation time, the latter being somewhat time-consuming. The 1-Dapproaches can readily get rid of the inhomogeneous broadening of MQ lines. A method forselective measurement of various MQ relaxation times in AX_n systems (n=1,2, and 3) witha given MQ order is presented. Consequently, the cross correlation coefficients of the sys-tems, which are not accessible in the SQ relaxation study, can be determined. 展开更多
关键词 mq nmr mq RELAXATION CROSS-CORRELATION coefficient.
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