Electronic Structure of Silicon-Containing Clusters and Nanodiamondoids

含硅团簇和纳米金刚石的电子结构

• 批准号: 166408520
• 负责人: Professor Dr. Otto Dopfer
• 金额: --
• 依托单位: Arbeitsgruppe Lasermolekülspektroskopie und Umweltphysik (AG Dopfer)
• 依托单位国家: 德国
• 项目类别: Research Units
• 财政年份: 2010
• 资助国家: 德国
• 起止时间: 2009-12-31 至 2016-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/166408520?language=en
• 关键词: Electronic; Structure; Silicon; Containing; Clusters

This project aims at the characterization of silicon-containing clusters generated in molecular beams in order to understand at the molecular level their structural, energetic, electronic (optical) and chemical properties as a function of the following adjustable parameters: Si cluster size, degree of hydrogen passivation at the Si cluster surface, charge state, type of adsorbate, degree of microsolvation, introduction of dopant atoms, and the substitution of functional groups. The techniques applied include mass spectrometry (cluster selection, composition, reactivity, binding energies), IR and UV photodissociation and photodetachment (geometric and electronic structure) and quantum chemistry (potential energy landscape, interpretation of experimental spectra) applied to size-selected cluster ions.

该项目旨在表征分子束中产生的含硅团簇，以便在分子水平上了解其结构、能量、电子（光学）和化学性质，作为以下可调参数的函数：Si团簇尺寸、Si团簇表面的氢钝化程度、电荷状态、吸附物类型、微溶剂化程度、掺杂剂原子的引入和取代 的官能团。所应用的技术包括质谱（簇选择、组成、反应性、结合能）、红外和紫外光解离和光分离（几何和电子结构）以及应用于尺寸选择的簇离子的量子化学（势能景观、实验光谱的解释）。

项目成果

IR spectrum and structure of a protonated disilane: probing the Si-H-Si proton bridge.

质子化乙硅烷的红外光谱和结构：探测 Si-H-Si 质子桥

• DOI: 10.1002/anie.201208958
• 发表时间: 2013
• 期刊: Angewandte Chemie
• 作者: M. Savoca;J. Langer;O. Dopfer
• 通讯作者: O. Dopfer

Characterization of neutral boron-silicon clusters using infrared spectroscopy: The case of Si6B

• DOI: 10.1016/j.ijms.2015.11.006
• 发表时间: 2016-02
• 期刊: International Journal of Mass Spectrometry
• 影响因子: 1.8
• 作者: guyen Xuan Truonga;Marko Haerteltb;Bertram K.A. Jaegera;Sandy Gewinnerb;ieland Schöllkopfb;André Fielickea;Otto Dopfera

Infrared spectrum of the Si3H8+ cation: evidence for a bridged isomer with an asymmetric three-center two-electron Si-H-Si bond.

Si3H8 阳离子的红外光谱：具有不对称三中心二电子 Si-H-Si 键的桥联异构体的证据

• DOI: 10.1002/chem.201302189
• 发表时间: 2013
• 期刊: Chemistry
• 作者: M.A.R. George;M. Savoca;O. Dopfer
• 通讯作者: O. Dopfer

Size and shape dependent photoluminescence and excited state decay rates of diamondoids.

• DOI: 10.1039/c3cp54570a
• 发表时间: 2014-01
• 期刊: Physical chemistry chemical physics : PCCP
• 作者: R. Richter;D. Wolter;T. Zimmermann;L. Landt;A. Knecht;C. Heidrich;A. Merli;O. Dopfer;P. Reiss;A. Ehresmann;J. Petersen;J. Dahl;R. Carlson;C. Bostedt;T. Möller;R. Mitrić;T. Rander

Infrared spectrum and structure of the adamantane cation: direct evidence for Jahn-Teller distortion.

金刚烷阳离子的红外光谱和结构：Jahn-Teller 畸变的直接证据

• DOI: 10.1002/anie.201108937
• 发表时间: 2012
• 期刊: Angewandte Chemie
• 作者: A. Patzer;M. Schütz;T. Möller;O. Dopfer
• 通讯作者: O. Dopfer