Structure and Dynamics of Hydrogen Bonds and Related Interactions

氢键的结构和动力学及相关相互作用

• 批准号: 9632515
• 负责人: John Bevan
• 金额: $ 27万
• 依托单位: Texas A&M Research Foundation
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1996
• 资助国家: 美国
• 起止时间: 1996-08-01 至 1999-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9632515&HistoricalAwards=false
• 关键词: Structure; Dynamics; Hydrogen; Bonds; Related

In this project in the Experimental Physical Chemistry Program of the Chemistry Division, Bevan and Lucchese perform an experimental and theoretical study of hydrogen-bonded and related proton-donor-proton acceptor dimer moleculess. Vibrational- and rotational-state-resolved infrared spectroscopy will be combined with theoretical modeling to investigate the nature of the interactions including geometries displaced from those occupied by the ground state. Complexes of homologous series of hydrogen halides and isoelectronic proton donors will be examined to gain a quantitative understanding of the hydrogen bond and related interactions in systems spanning Group VII elements. Two absorption spectrometers, one an FTIR instrument and the other an infrared diode laser spectrometer, both with supersonic slit-jet sample sources, will be used to study small (HX)n clusters and rare-gas-HX dimers. The range of applicability of the Buckingham-Fowler (B-F) electrostatic-plus-hard-sphere interaction model will be considered. Hydrogen bonds are not really chemical bonds such as exist in molecules, but rather they are weaker attractions between the hydrogen atoms of one molecule and other atoms in a neighboring, or even in the same, molecule. These interactions strongly affect such phenomena as the boiling point of water, the melting point of ice, and the structure of strands of DNA and have an impact in such wide-ranging disciplines as biochemistry, chemistry, genetics, and advanced materials technology. The results from these studies will help us understand better the nature of hydrogen bonds.

在这个项目中，在实验物理化学计划的 化学部，贝文和卢切斯进行实验， 氢键及相关质子-给体-质子的理论研究 受体二聚体无分子。 振动和旋转状态分辨 红外光谱将与理论建模相结合， 研究相互作用的性质，包括几何形状的位移 来自那些被基态占据的人。 同系配合物 卤化氢和等电子质子供体将被检查， 获得对氢键和相关的定量理解 在跨越第七族元素的系统中相互作用。 两个吸收 光谱仪，一个是FTIR仪器，另一个是红外二极管 激光光谱仪，都与超音速狭缝喷射样品源，将是 用于研究小（HX）n团簇和稀有气体HX二聚体。 的范围 Buckingham-Fowler（B-F） 将考虑静电加硬球相互作用模型。 氢键并不像分子中存在的那样是真正的化学键， 而是一个原子的氢原子之间的引力较弱 分子和相邻的，甚至是同一分子中的其他原子。 这些相互作用强烈地影响着沸点等现象 水的温度、冰的熔点和DNA链的结构 并对生物化学等广泛学科产生影响， 化学、遗传学和先进材料技术。 的结果 这些研究将帮助我们更好地理解氢的本质 债券