EXPERIMENTAL AND THEORETICAL STUDIES OF HYDROGEN BONDING

氢键的实验和理论研究

• 批准号: 6225383
• 负责人: Kathleen V. Kilway
• 金额: $ 13.69万
• 依托单位: UNIVERSITY OF MISSOURI KANSAS CITY
• 依托单位国家: 美国
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-03-01 至 2004-09-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6225383
• 关键词: cations; chemical bond resonance; chemical stability; chemical structure; chemical substitution; computer simulation; deuterium; dicarboxylate; electrolyte balance; hydrogen bond; intermolecular interaction; mathematical model; methanol; model design /development; molecular dynamics; molecular shape; molecular size; nuclear magnetic resonance spectroscopy; phthalates; physical model; protonation; structural biology; temperature

DESCRIPTION: The overall objective of this AREA proposal is to provide students (both undergraduate and graduate) experimental and theoretical research experiences in the health-related fields so as to pursue academic or professional careers. The major research thrust of this proposal is to study hydrogen-bonded systems employing NMR spectroscopy and theoretical methods. The specific aims are (a) to study the effect of concentration, temperature, and counterions on the acid salts of dicarboxylic acids with regard to their ability to form intra- and intermolecular hydrogen bonds, (b) to examine the stability of intramolecular hydrogen bonds in acid salts of dicarboxylic acids towards the addition of protic solvents and deuterium exchange, (c) to investigate the effect of the carbon framework on hydrogen bonding by expanding the current studies so as to probe symmetry, ring-size and hybridization effects, and (d) to determine the spatial requirements for hydrogen bonding using theoretical methods.

描述：本区域提案的总体目标是为学生提供

项目成果

Is 2-cyclopropylpropene really gauche?

2-环丙基丙烯真的很俗吗？

• DOI: 10.1016/j.saa.2004.10.004
• 发表时间: 2005
• 期刊: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
• 作者: Durig,JamesR;Zheng,Chao;Marzluf,KathleenR;Marquez,GerardoB;Guirgis,GamilA;Wurrey,CharlesJ;Kilway,KathleenV
• 通讯作者: Kilway,KathleenV