MULTIPLE QUANTUM COHERENCE ESR SPECTROSCOPY: THREE DIPOLAR COUPLED SPIN ONE-HALF

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 本项目的目的是分析位于三角形顶端的三个偶极耦合自旋S产生的多量子相干脉冲偶极ESR谱。虽然脉冲序列是我们小组以前的工作中已知的，但其思想是找到通过相位循环或时间比例相位增量(TPPI)分离不同阶谱并对其进行分析的方法，特别是绘制多维高阶谱，以使谱分析更加方便和高效。对于所有的计算，我们使用截断的长期哈密顿量，因为我们工作在弱耦合极限。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. In this project the aim is to analyze the multiple quantum coherence pulsed dipolar ESR spectrum originating from three dipolar coupled spin-¿'s placed at the vertices of a triangle. While the pulse sequence was known from previous work of our group, the idea was to find out ways to separate out the spectra of different orders by using phase cycling or TPPI (time proportional phase incrementation) and to analyze them; especially plotting the higher order spectra in multiple dimensions to make the analysis of the spectrum more convenient and efficient. For all the calculations, we used the truncated secular Hamiltonian as we were working in the weak coupling limit.