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Preparation of Pentacyclo‐[8.2.1.1 4,7 0 2,9 0 3,8 ] ‐tetradecane‐5,6,11,12‐tetracarboxylic Dianhydride Combined with Gaussian Calculation
Author(s) -
Lu Jianqiang,
Jin Yan,
Dong Jingjing,
Wang Tielin,
Zhang Hexing,
Song Zhanqian,
Feng Baicheng
Publication year - 2020
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.202002702
Subject(s) - tetradecane , yield (engineering) , chemistry , acetone , ultraviolet , solvent , quantum yield , analytical chemistry (journal) , materials science , organic chemistry , optics , fluorescence , physics , optoelectronics , metallurgy
The pentacyclic‐[8.2.1.1 4,7 0 2,9 0 3,8 ]‐tetradecane‐5,6,11,12‐tetracarboxylic dianhydride was prepared by norbornene dianhydrides as raw material and acetone as a solvent in a self‐made vertical photo reactor with single wavelength ultraviolet light. Based on the Gaussian Calculation combine with experiments, we studied the optimum wavelength of ultraviolet light and the stable conformation of the target product. The structure of the target compound was determined by HPLC‐MS, 1 H NMR, 13 C NMR, and X‐ray diffraction. The results showed that the yield of pentacyclic‐[8.2.1.1 4,7 0 2,9 0 3,8 ]‐tetradecane‐5,6,11,12‐tetracarboxylic dianhydride could reach 50.5 %, the reaction temperature was 20 °C, the initial concentration of reactant was 0.15 g/mL, the flow rate of the substrate was 5 mL/min, and the reaction time was 4 h.