HYPERCONJUGATION

作品数:8被引量:2H指数:1
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相关领域:理学更多>>
相关作者:洪然更多>>
相关机构:中国科学院更多>>
相关期刊:《Chinese Journal of Chemical Physics》《Open Journal of Physical Chemistry》《Science China Chemistry》《Chinese Journal of Chemistry》更多>>
相关基金:国家自然科学基金中国博士后科学基金更多>>
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Sn-fused perylene diimides: Synthesis, mechanism, and properties
《Chinese Chemical Letters》2024年第10期244-248,共5页Wenzhong Zhang Zirui Yan Lingcheng Chen Yi Xiao 
supported by the National Natural Science Foundation of China(Nos.21406027,21875027,and 22174009);the Medical and Engineering Joint Project of Natural Science Foundation of Liaoning Province(No.2021-YGJC-17);Supercomputing Center of Dalian University of Technology。
The first example of metal Sn-fused perylene diimides(PDI)derivative(Sn-PDI)was designed,synthesized,and investigated.To obtain this type compound,a simple one-pot synthesis,named stannylative cycloaddition reaction,h...
关键词:Functional dyes Perylene diimides Organometallic heterocyclics HYPERCONJUGATION Triplet state 
Effect of Hyperconjugation on Photovoltaic Performance in Pseduo-2D Perylene Diimide Derivatives
《Chinese Journal of Chemistry》2024年第7期725-730,共6页Zhilong He Yuwen Hong Guangyu Li Tong Shan Yi Zhang Hongliang Zhong 
supported by the Natural Science Foundation of Shanghai (21ZR1435100);Shenzhen Science and Technology Innovation Commission (2021SZVUP075);the Oceanic Interdisciplinary Program of Shanghai Jiao Tong University (SL2022MS015).
Theπ-πinteraction is acknowledged as the predominant factor to determine the molecular packing in organic photovoltaic materials,while other non-covalent intermolecular interactions especially theσ-πhyperconjugati...
关键词:HYPERCONJUGATION Weak intermolecular interactions CONFORMATION Organic solar cells Nonfullerene acceptor Perylene diimide 
A boryl-migratory semipinacol rearrangement
《Science China Chemistry》2022年第4期746-752,共7页Dong-Hang Tan Zhi-Hao Chen Ling Yang Chang-Ting Li Fang-Hai Tu Qingjiang Li Honggen Wang 
supported by the National Natural Science Foundation of China(22022114,21971261);the Key Project of Chinese National Programs for Fundamental Research and Development(2016YFA0602900);the Guang-dong Basic and Applied Basic Research Foundation(2020A1515010624);the Fundamental Research Funds for the Central Universities(20ykzd12);the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program(2017BT01Y093);the China Postdoctoral Science Foundation(2021M69360)。
The semipinacol rearrangement is one of the classic yet useful synthetic tools in organic synthesis.However,semipinacol rearrangements involving heteroatom-migration are rare.Reported herein is a boryl-migratory semip...
关键词:1 2-boryl migration HYPERCONJUGATION iterative cross-coupling organoborons semipinacol rearrangement sp3-B tetrasubstituted alkene 
Infrared Spectroscopy of Neutral and Cationic Pyrrolidine Monomer in Supersonic Jet被引量:1
《Chinese Journal of Chemical Physics》2020年第1期43-47,I0005,I0006,共7页Min Xie Zhao-li Zhang Yu Zhang Xiao-nan Sun Fu-fei Sun Yong-jun Hu 
the National Natural Science Foundation of China(No.U1732146,No.21273083);the Project under Scientific and Technological Planning Grant(No.201805010002)by Guangzhou City.
Pyrrolidine,a five membered heterocyclic molecule,is widely existing in organism.Herein,infrared spectra of pyrrolidine monomer in neutral and cationic states were obtained by vacuum ultraviolet ionization,infrared ph...
关键词:IR spectroscopy HYPERCONJUGATION Cationic state CH bond acidity Gas phase 
How long a C–C bond can be? An example of extraordinary long C–C single bond in 1,2-diarylamino-o-carborane
《Chinese Chemical Letters》2019年第8期1530-1532,共3页Yile Wu Jie Zhang Zuowei Xie 
supported by a grant from the Research Grants Council of the Hong Kong Special Administration Region (No. 14305918)
How long a C-C bond can be?A question has long fascinated chemists.This work reports an example of extraordinary long C-C bond distance of 1.990(4)?observed in single-crystal X-ray structure of 1,2-(NHMes)2-o-carboran...
关键词:O-CARBORANE C–C single BOND HYPERCONJUGATION AMINE X-ray structure 
Conformational and Bonding Analysis of C<sub>2</sub>H<sub>4</sub><sup>2+</sup>
《Open Journal of Physical Chemistry》2012年第3期176-181,共6页Gholam Hossein Shafiee 
In this report, different models of bonding and structure such as Lewis, VSEPR, Ligand close packing (LCP), VB, qualitative MO and QTAIM have been applied to analyze the Bonds and structures of two equilibrium geometr...
关键词:C2H42+ LCP HYPERCONJUGATION QTAIM PAULI EXCLUSION Principle 
Theoretical study of bifurcated bent blue-shifted hydrogen bonds CH_2…Y被引量:1
《Science China Chemistry》2008年第7期623-631,共9页LI AnYong School of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715, China 
Ab initio quantum chemistry methods were applied to study the bifurcated bent hydrogen bonds Y… H2CZ (Z = O, S, Se) and Y…H2CZ2 (Z = F, Cl, Br) (Y = Cl-, Br-) at the MP2/6-311++G(d,p) and MP2/6-311++G(2df,2p) levels...
关键词:BIFURCATED BENT H-BONDS blue-shifted H-BONDS topological property of electron density intramolecular HYPERCONJUGATION 
Hydrogen Bonding Interaction of Formic Acid-, Formaldehyde-, Formylfluoride-Nitrosyl Hydride: Theoretical Study on the Geometries, Interaction Energies and Blue- or Red-Shifted Hydrogen Bonds
《Chinese Journal of Chemistry》2007年第1期44-52,共9页刘颖 刘文清 李海洋 杨颙 程爽 
The hydrogen bonding interaction of formic acid-, formaldehyde-, formylfluoride-nitrosyl hydride complexes was investigated by the density functional theory (DFT) and ab inito method in conjunction with 6-311++G(...
关键词:HYPERCONJUGATION REHYBRIDIZATION electron density redistribution geometric reorganization red- or blue-shifted hydrogen bond 
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