Stucture, bonding and reactivity in alkyne analogs

炔类似物的结构、键合和反应性

• 批准号: 341945-2008
• 负责人: Mawhinney, Robert
• 金额: $ 1.6万
• 依托单位: Lakehead University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2010
• 资助国家: 加拿大
• 起止时间: 2010-01-01 至 2011-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=458674
• 关键词: Stucture; bonding; reactivity; alkyne; analogs

Aside from maybe the periodic table, there is nothing more fundamental to chemistry than the concept of the chemical bond. Models of the chemical bond, originally suggested to explain experimental observations and to guide new experiments, have become more and more elaborate as the synthesis of exotic and esoteric chemical compounds has increased. Central to all models is the original electron pair concept of Lewis. The advent of quantum chemistry helped solidify this concept and advances in computational quantum chemistry have since refined and broadened the definition of the chemical bond. It has also provided a means of examining the concept in molecules that are currently unavailable due to certain synthetic limitations.

除了元素周期表之外，没有什么比化学键的概念更基本的化学了。最初建议用来解释实验观察和指导新实验的化学键模型，随着外来和神秘化合物的合成越来越多，已经变得越来越复杂。所有模型的核心是刘易斯最初的电子对概念。量子化学的出现帮助巩固了这一概念，自那以后，计算量子化学的进展完善和拓宽了化学键的定义。它还提供了一种检查分子中的概念的方法，这些分子目前由于某些合成限制而无法获得。