| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 |
| adf:specctrarelated [2020/07/28 10:02] – [紫外可见吸收/发光[目录]] liu.jun | adf:specctrarelated [2024/04/05 22:58] (当前版本) – [2024] liu.jun |
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| ======紫外可见吸收[目录]====== | [[adf:publishedpapers|上级目录]] |
| | ======荧光/紫外可见光谱/吸收光谱/激发态[目录]====== |
| * [[http://www.fermitech.com.cn/adf-highlight-004|羰基铁配合物的高分辨X射线吸收光谱(2015)]] | - 【赵纪军教授课题组】巯基保护金纳米团簇的核心堆积相关振动性质及其激发态行为, Inorg. Chem., 2023, DOI: [[https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.3c03482|10.1021/acs.inorgchem.3c03482]] |
| * [[http://www.fermitech.com.cn/adf-highlight-009|银、金纳米颗粒的光学性质(2014)]] | - 基于双子方法的聚苯胺结构与激发态性质的关系, RSC Adv., 2023, 13, 27898-27911, DOI:[[https://pubs.rsc.org/en/content/articlehtml/2023/ra/d3ra05621j|10.1039/D3RA05621J]] |
| * [[http://www.fermitech.com.cn/adf/highlight-030|银与金纳米颗粒的光学性质(JACS两篇，2014)]] | - 【国内课题组】[[https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.3c01071|Unraveling the Marked Differences of the Excited-State Properties of Arylgold(III) Complexes with C∧N∧C Tridentate Ligands]](Inorg. Chem. 2023) |
| * [[http://www.fermitech.com.cn/adf/highlight-048|元结异构体(Agostic Isomers)-不同的颜色和结构(Angew. Chem. Int. Ed.，2013)]] | - 三齿Schiff碱配体负载的四核和六核锌配合物的合成、结构和光物理性质, [[https://doi.org/10.3390/chemistry5020070|Chemistry 2023, 5, 1028–1045]] |
| * [[http://www.fermitech.com.cn/adf/highlight-053|双核金属自由基成键(Angew. Chem. Int. Ed.，2012)]] | - [[https://pubs.rsc.org/en/content/articlelanding/2020/nr/c9nr09229c/unauth#!divAbstract|具有内部电场的超原子分子用于光收集 (Nanoscale 2020)]] |
| * [[http://www.fermitech.com.cn/adf/highlight-032|双钌催化剂的钌L2,3边沿的XANES谱(JACS，2011)]] | - [[http://www.fermitech.com.cn/adf-highlight-004|羰基铁配合物的高分辨X射线吸收光谱(2015)]] |
| * [[http://www.fermitech.com.cn/adf/highlight-050|锂-氨溶液在分子水平的模型(Angew. Chem. Int. Ed.，2009)]] | - [[http://www.fermitech.com.cn/adf-highlight-009|银、金纳米颗粒的光学性质(2014)]] |
| * [[http://www.fermitech.com.cn/adf-highlight-003|龙虾煮熟为啥变红？(JACS，2005)]] | - [[http://www.fermitech.com.cn/adf/highlight-030|银与金纳米颗粒的光学性质(JACS两篇，2014)]] |
| | - [[http://www.fermitech.com.cn/adf/highlight-048|元结异构体(Agostic Isomers)-不同的颜色和结构(Angew. Chem. Int. Ed.，2013)]] |
| | - [[http://www.fermitech.com.cn/adf/highlight-053|双核金属自由基成键(Angew. Chem. Int. Ed.，2012)]] |
| | - [[http://www.fermitech.com.cn/adf/highlight-032|双钌催化剂的钌L2,3边沿的XANES谱(JACS，2011)]] |
| | - [[http://www.fermitech.com.cn/adf/highlight-050|锂-氨溶液在分子水平的模型(Angew. Chem. Int. Ed.，2009)]] |
| | - [[http://www.fermitech.com.cn/adf-highlight-003|龙虾煮熟为啥变红？(JACS，2005)]] |
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| =====其他===== | =====其他===== |
| * [[https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.26365|Eu(III)MOF对苯胺选择性的传感机理解析：多构象理论计算(J. Comput. Chem. 2020)]] | ====2024==== |
| * [[https://pubs.acs.org/doi/full/10.1021/acs.inorgchem.9b03691|Excited-State Switching Frustrates the Tuning of Properties in Triphenylamine-Donor-Ligand Rhenium(I) and Platinum(II) Complexes(Inorg. Chem. 2020)]] | - 具有不同锚定基团的Ni和Zn金属卟啉的结构、电子和光谱性质的计算研究, The Journal of Chemical Physics, 2024, DOI: [[https://pubs.aip.org/aip/jcp/article/160/13/134305/3280407|10.1063/5.0191858]] |
| * [[https://pubs.acs.org/doi/abs/10.1021/acs.jpca.0c02719|Experimental and Theoretical Photoemission Study of Indole and Its Derivatives in the Gas Phase(J. Phys. Chem. A 2020)]] | - 用DIM/QM方法模拟分子激发态的近场效应, [[https://pubs.aip.org/aip/jcp/article/160/1/014707/2932347|J. Chem. Phys.,2024, 160, 014707]] |
| * [[https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.0c00125|Synthesis, Structures, and Photoluminescent Properties of Tricyanidonitridorhenium(V) Complexes with Bipyridine-Type Ligands(Inorg. Chem. 2020)]] | ====2023==== |
| * [[https://www.sciencedirect.com/science/article/abs/pii/S0022286020305287|Synthesis, spectroscopic characterization, crystal structure, DFT studies and biological activities of new hydrazone derivative: 1-(2,5-bis((E)-4-isopropylbenzylidene)cyclopentylidene)-2-(2,4-dinitrophenyl) hydrazine(Journal of Molecular Structure 2020)]] | - EXCITED STATE DYNAMICS AND CHEMICAL BOND REARRANGEMENT IN RUTHENIUM NITROSYL COMPLEXES AND SEVERAL OTHER HEAVY-ATOMCONTAINING COMPOUNDS,[[https://etd.ohiolink.edu/apexprod/rws_etd/send_file/send%3Faccession%3Dbgsu1680293794993649%26disposition%3Dinline|博士论文]] |
| * [[https://www.sciencedirect.com/science/article/pii/S1010603018310001Electronic excited states and luminescence properties of palladium (II) corrin complex (Journal of Photochemistry and Photobiology A: Chemistry 2019)]] | - 气相中阿司匹林、对乙酰氨基酚和布洛芬的光电子能谱研究, Phys. Chem. Chem. Phys., 2023, DOI: [[https://pubs.rsc.org/en/content/articlepdf/2023/cp/d2cp05810c|10.1039/d2cp05810c]] |
| | - 对有机含硫体系在高位单态激发态下的单态裂变的探索——反卡沙规则的应用前景, Phys. Chem. Chem. Phys., 2023, DOI: [[https://pubs.rsc.org/en/content/articlelanding/2023/CP/D3CP00298E|10.1039/D3CP00298E]] |
| | - [[https://link.springer.com/article/10.1007/s11224-023-02145-9|喹啉并[3,2-b]苯二氮卓和喹啉并[3,2-b]苯并恶嗪金属过渡金属M(L)2Cl2和M(L)Cl2配合物的分子和电子结构、键分析和UV-Vis光谱预测(Structural Chemistry 2023)]] |
| | - [[https://www.sciencedirect.com/science/article/abs/pii/S0022286023002715|两种新型对称叠氮席夫碱的合成、光谱、晶体、DFT、分子对接和体外胆碱酯酶抑制评价(Journal of Molecular Structure 2023)]] |
| | - [[https://univ-angers.hal.science/hal-03452303/preview/avarvari_mercuri_Er_revised_final.pdf|同/异相铒（III）苯胺基二维配位聚合物发光性质的实验/理论联合研究(HAL open science 2023)]] |
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| | ====2022==== |
| | - [[https://link.springer.com/article/10.1007/s11082-022-04111-x|TiSiO4团簇光学性质的TD-DFT研究(Optical and Quantum Electronics 2022)]] |
| | - [[https://pubs.acs.org/doi/abs/10.1021/acs.jpca.2c06435|吡啶席夫碱分子内氢键作为Re（I）配合物的辅助配体是可见光和近红外发射之间的开关：相对论量子化学研究(J. Phys. Chem. A 2022)]] |
| | - [[https://pubs.acs.org/doi/abs/10.1021/acs.jpca.2c04168|Coupling between Plasmonic and Molecular Excitations: TDDFT Investigation of an Ag-Nanorod/BODIPY–Dye Interaction(J. Phys. Chem. A 2022)]] |
| | - [[https://pubs.acs.org/doi/full/10.1021/acsomega.1c07202|六钼簇[Mo6Cl14]2–用于感应硝基芳香化合物(ACS Omega 2022)]] |
| | - [[https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.26868|四面体铝纳米颗粒光学性质的含时密度泛函理论研究(Journal of Computational Chemistry 2022)]] |
| | ====2021==== |
| | - [[https://pubs.acs.org/doi/full/10.1021/acs.jpca.1c01467|捕光复合物的结构和光谱性质之间的关系(J. Phys. Chem. A 2021)]] |
| | - [[https://www.sciencedirect.com/science/article/abs/pii/S0277538721002412|苯并咪唑和环庚咪唑金氮杂环卡宾的结构与电子性质( E Schott - Polyhedron 2021)]] |
| | ====2020==== |
| | - [[https://aip.scitation.org/doi/full/10.1063/5.0025672|纳米银颗粒均二聚体和异二聚体光学性质的TD-DFTB研究(J. Chem. Phys. 2020)]] |
| | - [[https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.26365|Eu(III)MOF对苯胺选择性的传感机理解析：多构象理论计算(J. Comput. Chem. 2020)]] |
| | - [[https://pubs.acs.org/doi/full/10.1021/acs.inorgchem.9b03691|Excited-State Switching Frustrates the Tuning of Properties in Triphenylamine-Donor-Ligand Rhenium(I) and Platinum(II) Complexes(Inorg. Chem. 2020)]] |
| | - [[https://pubs.acs.org/doi/abs/10.1021/acs.jpca.0c02719|Experimental and Theoretical Photoemission Study of Indole and Its Derivatives in the Gas Phase(J. Phys. Chem. A 2020)]] |
| | - [[https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.0c00125|Synthesis, Structures, and Photoluminescent Properties of Tricyanidonitridorhenium(V) Complexes with Bipyridine-Type Ligands(Inorg. Chem. 2020)]] |
| | - [[https://www.sciencedirect.com/science/article/abs/pii/S0022286020305287|Synthesis, spectroscopic characterization, crystal structure, DFT studies and biological activities of new hydrazone derivative: 1-(2,5-bis((E)-4-isopropylbenzylidene)cyclopentylidene)-2-(2,4-dinitrophenyl) hydrazine(Journal of Molecular Structure 2020)]] |
| | - [[https://www.sciencedirect.com/science/article/pii/S1010603018310001|Electronic excited states and luminescence properties of palladium (II) corrin complex (Journal of Photochemistry and Photobiology A: Chemistry 2019)]] |
