Evidence map›Paper›PMID 32915301›Full record

ArticleJournal of molecular modeling2020

Theoretical study of switching characteristics of molecular tweezers based on bis(Zn-salphen).

Hui Li, Qiuping Guan, Zishang Jia, Xueye Wang

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Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

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2 · The registry

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

4 authors.

Hui LiKey Laboratory for Green Organic Synthesis and Application of Hunan Province, Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education, College of Chemistry, Xiangtan University, Xiangtan, 411105, Hunan, People's Republic of China.
Qiuping GuanKey Laboratory for Green Organic Synthesis and Application of Hunan Province, Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education, College of Chemistry, Xiangtan University, Xiangtan, 411105, Hunan, People's Republic of China.
Zishang JiaKey Laboratory for Green Organic Synthesis and Application of Hunan Province, Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education, College of Chemistry, Xiangtan University, Xiangtan, 411105, Hunan, People's Republic of China.
Xueye WangKey Laboratory for Green Organic Synthesis and Application of Hunan Province, Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education, College of Chemistry, Xiangtan University, Xiangtan, 411105, Hunan, People's Republic of China. wxueye@xtu.edu.cn.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A series of novel tweezers based on bis(Zn-salphen) complex is theoretically studied. Density functional theory (DFT) method is used to investigate the switchable properties of terpy/bis(Zn-salphen) complex (1, terpy=2,2':6',2″-terpyridine) and Br-phtpy/bis(Zn-salphen) complex (2, Br-phtpy=4'-bromophenyl-2,2':6',2″-terpyridine). In this study, the free tweezers 1 and 2 can be converted from a "W" open form to a "U" closed form upon Ru(III) coordination. The switching performances were characterized by

Indexed as

Density functional theorySwitchable tweezersTerpyridine

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.