DICP OpenIR
Understanding and Measurement for the Binding Energy of Hydrogen bonds of Biomass-Derived Hydroxyl Compounds
Luo, Yang1,2; Ma, Hong1; Sun, Yuxia1,2; Che, Penghua1; Nie, Xin1; Wang, Tianlong1; Xu, Jie1
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
2018-01-25
ISSN1089-5639
DOI10.1021/acs.jpca.7b10637
Volume122Issue:3Pages:843-848
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordCHEMICAL-SHIFTS ; BASIS-SET ; WATER ; DERIVATIVES ; CELLULOSE ; PROTEINS ; H-1-NMR
AbstractExperimental measurement for the binding energy of hydrogen-bonds (HBs) has long been an attractive and challenging topic in chemistry and biochemistry. In the present study, the binding energy of OH center dot center dot center dot O HBs can be determined by H-1 NMR technique using a set of model biomass-derived hydroxyl compounds, including furfuryl alcohol, isosorbide, tetrahydrofurfuryl alcohol, and (S)-3-hydroxytetrahydrofuran. By performing concentration- and temperature-variation experiments, we put forward a modified Arrhenius-type equation, in which the compensated natural logarithm of the chemical shift (ln delta + Delta delta) is linearly correlated with 1/T. HBs energies can be directly determined by the slope of the plot, and are substantiated by density functional theory (DFT) theoretical calculations. This study provides a reliable method to measure the binding energy of OH center dot center dot center dot O HBs in hydroxyl-containing biomass-derived feedstocks.
Language英语
WOS IDWOS:000423653100011
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/168585
Collection中国科学院大连化学物理研究所
Corresponding AuthorMa, Hong; Xu, Jie
Affiliation1.Chinese Acad Sci, Dalian Natl Lab Clean Energy, State Key Lab Catalysis, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Luo, Yang,Ma, Hong,Sun, Yuxia,et al. Understanding and Measurement for the Binding Energy of Hydrogen bonds of Biomass-Derived Hydroxyl Compounds[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2018,122(3):843-848.
APA Luo, Yang.,Ma, Hong.,Sun, Yuxia.,Che, Penghua.,Nie, Xin.,...&Xu, Jie.(2018).Understanding and Measurement for the Binding Energy of Hydrogen bonds of Biomass-Derived Hydroxyl Compounds.JOURNAL OF PHYSICAL CHEMISTRY A,122(3),843-848.
MLA Luo, Yang,et al."Understanding and Measurement for the Binding Energy of Hydrogen bonds of Biomass-Derived Hydroxyl Compounds".JOURNAL OF PHYSICAL CHEMISTRY A 122.3(2018):843-848.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Luo, Yang]'s Articles
[Ma, Hong]'s Articles
[Sun, Yuxia]'s Articles
Baidu academic
Similar articles in Baidu academic
[Luo, Yang]'s Articles
[Ma, Hong]'s Articles
[Sun, Yuxia]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Luo, Yang]'s Articles
[Ma, Hong]'s Articles
[Sun, Yuxia]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.