Evidence map›Paper›PMID 38930995›Full record

ArticleMolecules (Basel, Switzerland)2024

Density Function Theory Study on the Energy and Circular Dichroism Spectrum for Methylene-Linked Triazole Diads Depending on the Substitution Position and Conformation.

Masaki Nakahata, Akihito Hashidzume

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2024. 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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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

2 authors.

Masaki NakahataGraduate School of Science, Osaka University, Toyonaka 560-0043, Osaka, Japan.ORCID 0000-0003-0397-5922
Akihito HashidzumeGraduate School of Science, Osaka University, Toyonaka 560-0043, Osaka, Japan.ORCID 0000-0003-0061-3432

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Since the discovery of metal-catalyzed azide-alkyne cycloadditions, 1,2,3-triazoles have been widely used as linkers for various residues. 1,2,3-Triazole is an aromatic five-membered cyclic compound consisting of three nitrogen and two carbon atoms with large dipoles that absorb UV light. In the past decade, we have been working on the synthesis of dense triazole polymers possessing many 1,2,3-triazole residues linked through a carbon atom in their backbone as a new type of functional polymer. Recently, we reported that stereoregular dense triazole uniform oligomers exhibit a circular dichroism signal based on the chiral arrangement of two neighboring 1,2,3-triazole residues. In this study, to investigate the chiral conformation of two neighboring 1,2,3-triazole residues in stereoregular dense triazole uniform oligomers, density functional theory (DFT) calculations were performed using 1,2,3-triazole diads with different substitution positions and conformations as model compounds and compared with our previous results.

Indexed as

1,2,3-triazolecircular dichroismDFT calculation

Identifiers

PMID38930995
PMCPMC11206612

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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.