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作者:

Liu, Qi (Liu, Qi.) | Song, Xiu-Qing (Song, Xiu-Qing.) | Yan, Hong (Yan, Hong.) (学者:闫红)

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摘要:

Four tetramethyl 4,4'-(ethane-1,2-diylidene)bis[1-R-5-oxo-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate] compounds, denoted class (1), are a series of conjugated buta-1,3-dienes substituted with a heterocyclic group. The compounds can be used as dyes and pigments due to their long-range conjugated systems. Four structures were studied using H-1 NMR, C-13 NMR and mass spectroscopy, viz. with R = 2,4,6-trimethylphenyl, (la), R = cyclohexyl, (1b), R = tert-butyl, (1c), and R = isopropyl, (1d). A detailed discussion is presented regarding the characteristics of the three-dimensional structures based on NMR analysis and the X-ray crystal structure of (1a), namely tetramethyl 4,4'-(ethane-1,2-diylidene)bis[5-oxo-1-(2,4,6-trimethylpheny1)- 4,5-dihydro-1H-pyrrole-2,3-dicarboxylate], C36H36N2O10. Theconjugation plane and stability were also studied via quantum chemical calculations.

关键词:

buta-1,3-dienes conjugation crystal structure dyes NMR analysis NOESY analysis pigments quantum chemical calculations tetracarboxylates

作者机构:

  • [ 1 ] [Liu, Qi]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing, Peoples R China
  • [ 2 ] [Song, Xiu-Qing]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing, Peoples R China
  • [ 3 ] [Yan, Hong]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing, Peoples R China

通讯作者信息:

  • 闫红

    [Yan, Hong]Beijing Univ Technol, Coll Life Sci & Bioengn, Pingleyuan St 100, Beijing, Peoples R China

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来源 :

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY

ISSN: 2053-2296

年份: 2014

卷: 70

页码: 965-U195

0 . 8 0 0

JCR@2022

ESI学科: CHEMISTRY;

ESI高被引阀值:195

JCR分区:4

中科院分区:4

被引次数:

WoS核心集被引频次: 1

SCOPUS被引频次: 1

ESI高被引论文在榜: 0 展开所有

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