TAUTOMERIZATION

作品数：16被引量：10H指数：1
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Revelation of bimolecular tautomerization induced by the concerted and radical interactions in lignin pyrolysis
《Journal of Energy Chemistry》2023年第9期1-10,共10页Wen-luan Xie Bin Hu Wen-ming Zhang He-long Li Guo-yong Song Ji Liu Qiang Lu 
the National Natural Science Foundation of China(52276189,52106241);Natural Science Foundation of Jiangsu Province(BK20221248)for financial support。
Bimolecular interactions play crucial roles in lignin pyrolysis.The tautomerization of key intermediates has a significant impact on the formation of stable products,whereas bimolecular tautomerization has been rarely...
关键词：Lignin pyrolysis Interaction mechanism TAUTOMERISM Hydroxyl-assisted hydrogen transfer Radical chain reaction 
Dual-radical-based molecular anisotropy and synergy effect of semi-conductivity and valence tautomerization in a photoswitchable coordination polymer
《National Science Review》2023年第6期200-214,共15页Jing-Wei Dai Yu-Qin Li Zhao-Yang Li Hai-Tao Zhang Carmen Herrmann Shohei Kumagai Marko Damjanovic Markus Enders Hiroyuki Nojiri Masakazu Morimoto Norihisa Hoshino Tomoyuki Akutagawa Masahiro Yamashita 
the Japan Society for the Promotion of Science for his fellowship(26-14031);the Nankai University for the startup fund for talented young researchers;supported by the National Natural Science Foundation of China(21971124,22275100 and 22150710513);A PhD scholarship from the Beilstein Institut zur Forderung der Chemischen Wissenschaften;state of Baden-Wurttemberg through bw HPC and the German Research Foundation(DFG)through grant no.INST 40/467-1FUGG(JUSTUS cluster);German Research Foundation for the support through project HE5675/6-1(Project ID 420773200)
Organic radicals are widely used as linkers or ligands to synthesize molecular magnetic materials.However,studies regarding the molecular anisotropies of radical-based magnetic materials and their multifunctionalities...
关键词：valence tautomerization charge transfer photo switching DIRADICAL coordination polymer 
The Role of Solvent in Tautomer Solvate Crystallization: A Case of 6-Amino-1,3-Dimethyl-5-Nitrosouracil
《Transactions of Tianjin University》2020年第6期458-469,共12页Luguang Qi Yanhui Jin Huina Li Yanpeng Dong Chuang Xie 
The authors thank the fi nancial support from the National Natural Science Foundation of China(No.21776204).
Tautomers are structural isomers that readily interconvert and may exhibit diff erent properties.The eff ect of solvent on tautomeric equilibria in solution has been a subject of some research.Tautomer solvate is less...
关键词：TAUTOMERIZATION SOLVATE Molecular dynamics simulation Quantum chemical calculation 
Organocatalytic cascade 1,6-conjugate addition/annulation/tautomerization of functionalized para-quinone methides： Access to chiral 2-amino-4-aryl-4H-chromenes
《Chinese Chemical Letters》2018年第8期1273-1276,共4页Cong Duan Ling Ye Wenqin Xu Xinying Li Feng Chen Zhigang Zhao Xuefeng Li 
financially supported by the National Natural Science Foundation of China(No.21402163);the Fundamental Research Funds for the Central Universities of Southwest Minzu University (No. 2016NGJPY02);the Graduate Innovation Project of Southwest Minzu University (No. CX2017SZ016);the Undergraduate Innovation Project of Southwest Minzu University (No. S201610656092)
A novel organocatalytic cascade process initiated by 1,6-conjugated addition has been successfully developed. A range of pharmaceutically active 2-amino-4-aryl-4H-chromenes were readily obtained in high yields（88%-99...
关键词：para-Quinone methides 2-Amino-4-aryl-4H-chromene Domino reaction 1 6-Conjugated addition Enantioselective 
Development of aspartic acid ligation for peptide cyclization derived from serine/threonine ligation被引量：1
《Chinese Chemical Letters》2018年第7期1119-1122,共4页Ci Xu Jianchao Xu Han Liu Xuechen Li 
supported by the Research Grants Council (Nos. 17309616, C6009-15G) of Hong Kong;The National Science Foundation of China (Nos. 21672180, 91753101);the Area of Excellence Scheme of the University of Grants Committee of Hong Kong (No. AoE/P-705/16)
Based on a mechanism analogous to the serine/threonine ligation, the aspartic acid ligation, which is facilitated by the γ-amino alcohol based ligation and oxidation, is developed and applied to the synthesis of cycl...
关键词：Aspartic acid ligation Peptide cyclization Serine/threonine ligation Ring-chain tautomerization Acyl transfer Selective oxidation 
Conductance switching of a phthalocyanine molecule on an insulating surface被引量：1
《Frontiers of physics》2017年第4期143-146,共4页Kun Peng Dou Chao-Cheng Kaun 
We study the electron transport through the double-barrier junction consmte^l o~ tne pn^nalocyamn~ molecule adsorbed on a NaCl bilayer on a metal substrate and the STM tip from first principles. The hydrogen tautomeri...
关键词：first-principles calculations double-barrier junction NaC1 bilayer tautomerization molecular electronics 
A BODIPY analogue from the tautomerization of sodium 3-oxide BODIPY被引量：1
《Chinese Chemical Letters》2015年第6期631-635,共5页Peng-Zhong Chen Hai-Rong Zheng Li-Ya Niu Yu-Zhe Chen Li-Zhu Wu Chen-Ho Tung Qing-Zheng Yang 
financially supported by the 973 program (Nos.2013CB933800,2013CB834505);National Natural Science Foundation of China (Nos.21222210,21102155,91027041);the Chinese Academy of Sciences (100 Talents Program)
The introduction of hydroxy group to the 3- or 5-position of 4,4-difluoro-4-bora-3aAa-diazaindacene （BODIPY） results in unexpected tautomerization to BDPONa with interesting structural and photophysical properties. ...
关键词：Bodipy Substitution reaction Tautomerization Sodium salt 
DFT Calculations on the Effect of Solvation on the Tautomeric Reactions for Wobble Gua-Thy and Canonical Gua-Cyt Base-Pairs
《Journal of Modern Physics》2013年第3期422-431,共10页Kazuya Nomura Ryota Hoshino Eisuke Shimizu Yasuhiro Hoshiba Victor I. Danilov Noriyuki Kurita 
To elucidate the reaction mechanism from wobble Guanine-Thymine (wG-T) to tautomeric G-T base-pairs, we investigate its transition state (TS) by density functional theory (DFT) calculations, in vacuum and in water app...
关键词：DFT Wobble BASE PAIR BASE PAIR TAUTOMERIZATION Transition State Activation Energy SOLVATION 
Theoretical Studies on the Binding of Cd^(2+) to Uracil and Its Thio-derivatives
《Chinese Journal of Structural Chemistry》2012年第4期521-528,共8页王敏 洒荣建 吴克琛 李巧红 韦永勤 
supported by the NNSFC (20973174 and 91122015);the Young Scientist Fund of NSFC (81001403);the Youth Innovation Fund,Institute Key Program (SZD08003) of FJIRSM
The interaction of Cd2＋ with uracil,2-thiouracil,4-thiouracil and 2,4-dithiouracil have been investigated by the density functional theory（DFT） calculations.For uracil and 2,4-dithiouracil,where the two basic sites...
关键词：THIOURACIL TAUTOMERIZATION catalytic effects AROMATIZATION 
The tautomerization of H_2NCH_2C(OH)NH to H_2NCH_2CONH_2 in the interstellar medium
《Science China(Physics,Mechanics & Astronomy)》2011年第1期156-163,共8页XU SiChuan DENG ShengRong MA LiYing SHI Qiang ZHANG XingKang GE MaoFa 
supported by the One-Hundred-Talents Project of Chinese Academy of Sciences,and the Academic Talent Foundation of Yunnan Province,China (Grant No.2006PY01-29)
The tautomerization of H2NCH2C(OH)NH to H2NCH2CONH2 is an important step by way of Strecker synthesis for the production of glycine in the interstellar medium (ISM) with respect to the origin of amino acids on the ear...
关键词：H2NCH2C（OH）NH H2NCH2CONH2 interstellar medium amino acid origin hydrogen tunneling 
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