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High pressure influence on the Diels–Alder reaction volume in the solid phase at pressure up to 7000 bar and in solution
High Pressure Research ( IF 2 ) Pub Date : 2019-10-02 , DOI: 10.1080/08957959.2019.1672678
Dmitry A. Kornilov 1 , Ildar F. Dinikaev 1 , Vladimir D. Kiselev 1
Affiliation  

ABSTRACT The molar volumes of tetracyanoethylene (1), maleic anhydride (2), N-phenylmaleimide (3), anthracene (4), trans, trans-1,4-diphenyl-1,3-butadiene (5), and their Diels–Alder reaction adducts (6 -9) in the solid state (Vcr) and in solutions (VS) were determined. The reaction volume due to the reorganization of the bonds (Δr-n VW) is nearly the same as in solid state (Δr-n Vcr) and both values are only about 30% from the reaction volume in solution (Δr-n VS). The compressibility coefficients of crystals 2 (12.1·10−6) and 4 (12.0·10−6) are the same and larger than that of adduct 7 (9.45·10−6 bar−1). A huge difference is shown in the magnitudes of the reaction volumes in the solid state and in solutions. It was found that after compressing the reagent powders to 5–8 kbar and depressurizing, these crystals have a density very close to the density of single crystals.

中文翻译:

在压力高达 7000 bar 的固相和溶液中,高压对 Diels-Alder 反应体积的影响

摘要 四氰基乙烯 (1)、马来酸酐 (2)、N-苯基马来酰亚胺 (3)、蒽 (4)、反式、反式-1,4-二苯基-1,3-丁二烯 (5) 及其 Diels 的摩尔体积– 测定了固态 (Vcr) 和溶液 (VS) 中的 Alder 反应加合物 (6 -9)。由键重组引起的反应体积 (Δr-n VW) 与固态反应体积 (Δr-n Vcr) 几乎相同,并且这两个值仅占溶液反应体积 (Δr-n VS) 的 30% . 晶体 2 (12.1·10-6) 和 4 (12.0·10-6) 的压缩系数与加合物 7 (9.45·10-6 bar-1) 的压缩系数相同且更大。固态和溶液中反应体积的大小显示出巨大差异。发现将试剂粉末压缩到 5-8 kbar 并减压后,
更新日期:2019-10-02
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