Next Article in Journal
Aquaporin-Mediated Water and Hydrogen Peroxide Transport Is Involved in Normal Human Spermatozoa Functioning
Next Article in Special Issue
Succinimide Formation from an NGR-Containing Cyclic Peptide: Computational Evidence for Catalytic Roles of Phosphate Buffer and the Arginine Side Chain
Previous Article in Journal
Human Rho Guanine Nucleotide Exchange Factor 11 (ARHGEF11) Regulates Dendritic Morphogenesis
Previous Article in Special Issue
The Thermodynamic and Kinetic Properties of 2-Hydroxypyridine/2-Pyridone Tautomerization: A Theoretical and Computational Revisit
Article Menu
Issue 1 (January) cover image

Export Article

Open AccessArticle
Int. J. Mol. Sci. 2017, 18(1), 4;

Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol

Environment Research Institute, Shandong University, Shanda South Road 27, Jinan 250100, Shandong, China
College of Chemistry and Pharmaceutical Sciences, Qingdao Agricultural University, Changcheng Road 700, Qingdao 266109, Shandong, China
Author to whom correspondence should be addressed.
Academic Editor: Mihai V. Putz
Received: 29 September 2016 / Revised: 29 November 2016 / Accepted: 12 December 2016 / Published: 30 December 2016
(This article belongs to the Special Issue Chemical Bond and Bonding 2016)
Full-Text   |   PDF [2789 KB, uploaded 30 December 2016]   |  


Amides are important atmospheric organic–nitrogen compounds. Hydrogen bonded complexes of methanol (MeOH) with amides (formamide, N-methylformamide, N,N-dimethylformamide, acetamide, N-methylacetamide and N,N-dimethylacetamide) have been investigated. The carbonyl oxygen of the amides behaves as a hydrogen bond acceptor and the NH group of the amides acts as a hydrogen bond donor. The dominant hydrogen bonding interaction occurs between the carbonyl oxygen and the OH group of methanol as well as the interaction between the NH group of amides and the oxygen of methanol. However, the hydrogen bonds between the CH group and the carbonyl oxygen or the oxygen of methanol are also important for the overall stability of the complexes. Comparable red shifts of the C=O, NH- and OH-stretching transitions were found in these MeOH–amide complexes with considerable intensity enhancement. Topological analysis shows that the electron density at the bond critical points of the complexes fall in the range of hydrogen bonding criteria, and the Laplacian of charge density of the O–H∙∙∙O hydrogen bond slightly exceeds the upper value of the Laplacian criteria. The energy decomposition analysis further suggests that the hydrogen bonding interaction energies can be mainly attributed to the electrostatic, exchange and dispersion components. View Full-Text
Keywords: hydrogen bond; molecular complexes; energy decomposition analysis hydrogen bond; molecular complexes; energy decomposition analysis

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

Share & Cite This Article

MDPI and ACS Style

Zhao, H.; Tang, S.; Xu, X.; Du, L. Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol. Int. J. Mol. Sci. 2017, 18, 4.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top