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

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 中心，不一定是研究者的机构。 在这个项目中，目的是分析多量子相干脉冲偶极ESR谱起源于三个偶极耦合自旋-<$'s放置在一个三角形的顶点。 虽然脉冲序列是已知的从以前的工作，我们的想法是找到方法来分离出不同的顺序，通过使用相位循环或TPPI（时间比例相位增量）的光谱，并分析它们;特别是绘制在多维的高阶光谱，使光谱的分析更方便和有效。 对于所有的计算，我们使用截断的长期哈密顿量，因为我们是在弱耦合极限工作。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. 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.