EXPERIMENTAL AND THEORETICAL STUDIES OF HYDROGEN BONDING
EXPERIMENTAL AND THEORETICAL STUDIES OF HYDROGEN BONDING
批准号:
6225383
负责人:
Kathleen V. Kilway
金额:
$13.69万
依托单位国家:
美国
项目类别:
财政年份:
2001
资助国家:
美国
项目状态:
已结题
起止时间:
2001-03-01 至 2004-09-30
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
中文摘要
描述:该领域提案的总体目标是为学生提供
(本科生和研究生)实验和理论研究
在健康相关领域的经验,以追求学术或
职业生涯。这项建议的主要研究主旨是研究
用核磁共振波谱和理论方法研究氢键体系。这个
具体目标是(A)研究浓度、温度和
二元酸的酸性盐上的反离子与它们的
形成分子内和分子间氢键的能力,(B)检查
二元酸盐类分子内氢键的稳定性
用于添加质子剂和氢交换,(C)
通过膨胀研究碳骨架对氢键的影响
目前关于对称性、环大小和杂交的研究
影响,以及(D)确定氢键的空间要求
运用理论方法。
英文摘要
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.
期刊论文(1)
专著(0)
科研奖励(0)
会议论文
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
影响因子:
--
作者:
[Durig,JamesR, Zheng,Chao, Marzluf,KathleenR, Marquez,GerardoB, Guirgis,GamilA, Wurrey,CharlesJ, Kilway,KathleenV]
通讯作者:
Kilway,KathleenV
Peptide Dimethacrylate Additives for Dental Composites
-
批准号:7268157
-
项目类别:
-
资助金额:$22.98万
-
财政年份:2006
-
负责人:Kathleen V. Kilway
-
依托单位:
Peptide Dimethacrylate Additives for Dental Composites
-
批准号:7132646
-
项目类别:
-
资助金额:$20.34万
-
财政年份:2006
-
负责人:Kathleen V. Kilway
-
依托单位: