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...
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...
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...
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...
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...
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...
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...
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(...