QLC: EAGER: Engineering Control into the Coherence Lifetimes of Entangled States Using Transition Metal Ions in Molecules with Electron Spins

QLC：EAGER：利用电子自旋分子中的过渡金属离子对纠缠态相干寿命进行工程控制

• 批准号: 1836569
• 负责人: James Donahue
• 金额: $ 20万
• 依托单位: Tulane University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-09-01 至 2020-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1836569&HistoricalAwards=false
• 关键词: QLC; EAGER; Engineering; Control; into

In this EAGER project, funded by the Chemical Structure, Dynamic & Mechanism B Program of the Chemistry Division, Professor James P. Donahue of the Department of Chemistry at Tulane University, is developing the synthesis of metallodithiolene coordination complexes for their application as molecule-based qubits. These molecules support stable electron spins in the form of ligand-radicals that are weakly coupled through space. They provide a viable platform for quantum computing, which promises to provide a basis for computing on a scale and speed vastly greater than that offered by conventional digital computing. The project provides great opportunities for training of students in synthetic organic and coordination chemistry and for the teaching of physical methods of characterization. It also helps to develop a workforce on quantum computing.Metallodithiolene coordination complexes support reversible oxidation of the terminal dithiolene ligands from ene-1,2-dithiolates to stable radical monoanions which weakly couple and thus meet the fundamental criterion for a 2-qubit system. This same general behavior is anticipated for their larger analogs but with the key difference that the central metal center is chosen to provide some mechanism for switching reversibly to a spin active state that, in conjunction with unpaired electrons on the dithiolene radicals, can create a new quantum entangled state with coherence lifetimes that can be measured by electron paramagnetic resonance methods. The switching mechanism for the metal center may be photoexcitation, thermally-induced spin crossover, or redox chemistry. The key goal of the project is to create coherent and regenerable quantum states in these molecules with long lifetimes.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

在这个 EAGER 项目中，由化学部的化学结构、动力学和机理 B 项目资助，杜兰大学化学系的 James P. Donahue 教授正在开发金属二硫烯配位配合物的合成，以将其用作基于分子的配合物。量子位。这些分子以通过空间弱耦合的配体自由基的形式支持稳定的电子自旋。 它们为量子计算提供了一个可行的平台，有望为规模和速度远远大于传统数字计算的计算提供基础。该项目为合成有机化学和配位化学的学生培训以及物理表征方法的教学提供了良好的机会。 它还有助于发展量子计算方面的人才队伍。金属二硫烯配位配合物支持末端二硫烯配体从 ene-1,2-二硫醇盐到稳定的自由基单阴离子的可逆氧化，该阴离子是弱耦合的，从而满足 2 量子位系统的基本标准。对于较大的类似物，预计也会出现相同的一般行为，但关键的区别在于，选择中心金属中心是为了提供某种可逆地切换到自旋活性态的机制，该机制与二硫烯自由基上的不成对电子结合，可以产生新的自旋活性态。具有可通过电子顺磁共振方法测量的相干寿命的量子纠缠态。 金属中心的转换机制可能是光激发、热诱导自旋交叉或氧化还原化学。 该项目的主要目标是在这些具有长寿命的分子中创建相干且可再生的量子态。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Group 10 Metal Dithiolene Bis(isonitrile) Complexes: Synthesis, Structures, Properties, and Reactivity

第 10 族金属二硫醇双（异腈）配合物：合成、结构、性质和反应性

• DOI: 10.1021/acs.organomet.0c00375
• 发表时间: 2020-08
• 期刊: Organometallics
• 影响因子: 2.8
• 作者: Obanda, Antony;Valerius, Kendra;Mague, Joel T.;Sproules, Stephen;Donahue, James P.
• 通讯作者: Donahue, James P.