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第15课-化学反应性:SOMO、HOMO和LUMO

Lecture 15 - Chemical Reactivity: SOMO, HOMO, and LUMO
课程网址: http://videolectures.net/yalechem125f08_mcbride_lec15/  
主讲教师: J. Michael McBride
开课单位: 耶鲁大学
开课时间: 2010-06-09
课程语种: 英语
中文简介:
麦克布莱德教授首先用先前的“病理性”键和BH3分子的例子来说明化学家如何使用局域键、空位原子轨道和非共享对来理解分子,与基于分子自身总电子密度或计算分子轨道的观点相比较。然后,本课程重点从单占据分子轨道(SOMO)的重叠以及更常见的异常高能最高占据分子轨道(HOMO)与异常低能最低未占据分子轨道(LUMO)的重叠来理解反应性。这是对传统酸碱概念的概括。概述和说明了评估反应性的标准。
课程简介: Professor McBride begins by using previous examples of "pathological" bonding and the BH3 molecule to illustrate how a chemist's use of localized bonds, vacant atomic orbitals, and unshared pairs to understand molecules compares with views based on the molecule's own total electron density or on computational molecular orbitals. This lecture then focuses on understanding reactivity in terms of the overlap of singly-occupied molecular orbitals (SOMOs) and, more commonly, of an unusually high-energy highest occupied molecular orbital (HOMO) with an unusually low-energy lowest unoccupied molecular orbital (LUMO). This is shown to be a generalization of the traditional concepts of acid and base. Criteria for assessing reactivity are outlined and illustrated.  
关 键 词: 单占据分子轨道; 异常高能最高占据分子轨道; 常低能最低未占据分子轨道
课程来源: 视频讲座网
数据采集: 2021-11-17:zkj
最后编审: 2021-12-20:liyy
阅读次数: 542