| 诱导效应指数与脂肪族胺、醇和醚的气相碱性 |
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| 引用本文： | 张秀利,汪勇先,李俊玲. 诱导效应指数与脂肪族胺、醇和醚的气相碱性[J]. 有机化学, 2003, 23(2): 198-202 |
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| 作者姓名： | 张秀利 汪勇先 李俊玲 |
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| 作者单位： | 中国科学院上海原子核研究所,上海,201800 |
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| 摘 要： | 用烷基诱导效应指数I和RX分子中质子亲合原子X所带电荷qx及元素电负性XN与 脂肪胺，醇、醚的气相质子亲合PA进行关联，结果表明，脂肪胺，醇、醚的气相碱 性可以用下式定量描述：PA(kJ.mol^-1)-2732.0333-2457.1510∑I-1492.2351qx- 732.6277XN利用上式对64种化合物的气相碱性进行预测，平均相对误差为0．34％ ，预测值和实验值的偏差均在实验误差范围内。
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| 关 键 词： | 脂肪族胺 醇 醚 电负性 诱导效应 |
| 修稿时间： | 2002-06-14 |
Relationship between inductive effect index and gas phase basicity of aliphatic amine,alcohol and ether |
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| ZHANG,Xiu Li WANG,Yong Xian LI,Jun Ling. Relationship between inductive effect index and gas phase basicity of aliphatic amine,alcohol and ether[J]. Chinese Journal of Organic Chemistry, 2003, 23(2): 198-202 |
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| Authors: | ZHANG Xiu Li WANG Yong Xian LI Jun Ling |
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| Affiliation: | Shanghai Institute of Nuclear Research,Chinese Academy of Sciences. Shanghai(201800) |
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| Abstract: | The relationship of gas phase protonaffinity (PA) of aliphatic amines, alcohols and ethers, inductive effect index ( I) of alkyl group, atomic charge( qx), electronegativity of element ( X-N) of affinity atom in RX molecules was studied. The results indicate thatPA of aliphatic amines, alcohols and ethers can be quantitatively described as follow:q PA (kJ·mor~-1) =2732.0333-2457. 1510∑I- 1492.2351 q -x-732.6277 Z-N On the basis of this corelation, the gas phase basicities of 64 aliphatic amines, alcohols and ethers are predicted with average relative error ≤0.34% . |
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| Keywords: | amine alcohol ether gas phase basicity inductive effect index electronegativity of element |
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