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五元与六元1,2-硼氮杂环烷烃氢释放动力学的比较

A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes.

作者信息

Giustra Zachary X, Chen Gang, Vasiliu Monica, Karkamkar Abhijeet, Autrey Tom, Dixon David A, Liu Shih-Yuan

机构信息

Department of Chemistry, Boston College Chestnut Hill Massachusetts 02467-3860 USA

Department of Chemistry, The University of Alabama Tuscaloosa Alabama 35487-0036 USA.

出版信息

RSC Adv. 2021 Oct 20;11(54):34132-34136. doi: 10.1039/d1ra07477f. eCollection 2021 Oct 18.

DOI:10.1039/d1ra07477f
PMID:35497319
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9042405/
Abstract

The reaction order and Arrhenius activation parameters for spontaneous hydrogen release from cyclic amine boranes, , BN-cycloalkanes, were determined for 1,2-BN-cyclohexane (1) and 3-methyl-1,2-BN-cyclopentane (2) in tetraglyme. Computational analysis identified a mechanism involving catalytic substrate activation by a ring-opened form of 1 or 2 as being consistent with experimental observations.

摘要

测定了环胺硼烷（即BN-环烷烃）中1,2-BN-环己烷（1）和3-甲基-1,2-BN-环戊烷（2）在四甘醇二甲醚中自发释放氢气的反应级数和阿累尼乌斯活化参数。计算分析确定了一种机制，该机制涉及1或2的开环形式对底物的催化活化，这与实验观察结果一致。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/b0892644ab41/d1ra07477f-s3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/151611e38139/d1ra07477f-s1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/6fce4d877578/d1ra07477f-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/5829601fb4af/d1ra07477f-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/76bb42ade10e/d1ra07477f-s2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/0f68e7fb1e32/d1ra07477f-f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/b0892644ab41/d1ra07477f-s3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/151611e38139/d1ra07477f-s1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/6fce4d877578/d1ra07477f-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/5829601fb4af/d1ra07477f-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/76bb42ade10e/d1ra07477f-s2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/0f68e7fb1e32/d1ra07477f-f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f929/9042405/b0892644ab41/d1ra07477f-s3.jpg

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