Crossover from hydrogen to chemical bonding

doi:10.1126/science.abe1951

GSTDTAP > 气候变化

DOI	10.1126/science.abe1951
	Crossover from hydrogen to chemical bonding
	Bogdan Dereka; Qi Yu; Nicholas H. C. Lewis; William B. Carpenter; Joel M. Bowman; Andrei Tokmakoff
	2021-01-08
发表期刊	Science
出版年	2021
英文摘要	Hydrogen bonding (H-bonding) unquestionably plays an important role in chemical and biological systems and is responsible for some of their unusual properties. Strong, short H-bonds constitute a separate class that, owing to their elusive characterization, has remained a point of contention over the past several decades. Using femtosecond two-dimensional infrared spectroscopy in conjunction with quantum chemical calculations, Dereka et al. demonstrate a powerful way to investigate the nature of short H-bonding (see the Perspective by Bonn and Hunger). Their quantitative characterization of multiple coupled motions in the model system of bifluoride anion [F-H-F]− in aqueous solution reveals several distinctive features of a crossover from conventional to short, strong H-bonding. Science , this issue p. [160][1] see also p. [123][2] Hydrogen bonds (H-bonds) can be interpreted as a classical electrostatic interaction or as a covalent chemical bond if the interaction is strong enough. As a result, short strong H-bonds exist at an intersection between qualitatively different bonding descriptions, with few experimental methods to understand this dichotomy. The [F-H-F]− ion represents a bare short H-bond, whose distinctive vibrational potential in water is revealed with femtosecond two-dimensional infrared spectroscopy. It shows the superharmonic behavior of the proton motion, which is strongly coupled to the donor-acceptor stretching and disappears on H-bond bending. In combination with high-level quantum-chemical calculations, we demonstrate a distinct crossover in spectroscopic properties from conventional to short strong H-bonds, which identify where hydrogen bonding ends and chemical bonding begins. [1]: /lookup/doi/10.1126/science.abe1951 [2]: /lookup/doi/10.1126/science.abf3543
领域	气候变化 ; 资源环境
URL	查看原文
引用统计
文献类型	期刊论文
条目标识符	http://119.78.100.173/C666/handle/2XK7JSWQ/310444
专题	气候变化资源环境科学
推荐引用方式 GB/T 7714	Bogdan Dereka,Qi Yu,Nicholas H. C. Lewis,et al. Crossover from hydrogen to chemical bonding[J]. Science,2021.
APA	Bogdan Dereka,Qi Yu,Nicholas H. C. Lewis,William B. Carpenter,Joel M. Bowman,&Andrei Tokmakoff.(2021).Crossover from hydrogen to chemical bonding.Science.
MLA	Bogdan Dereka,et al."Crossover from hydrogen to chemical bonding".Science (2021).