Altmetric

Local structure and polar order in liquid N-Methyl-2-pyrrolidone (NMP)

File Description SizeFormat 
acs.jpcb.8b08020.pdfPublished version4.02 MBAdobe PDFView/Open
Title: Local structure and polar order in liquid N-Methyl-2-pyrrolidone (NMP)
Authors: Basma, NS
Headen, TF
Shaffer, MSP
Skipper, NT
Howard, CA
Item Type: Journal Article
Abstract: N-Methyl-2-pyrrolidone (NMP) is an exceptional solvent, widely used in industry and for nanomaterials processing. Yet despite its ubiquity, its liquid structure, which ultimately dictates its solvation properties, is not fully known. Here, neutron scattering is used to determine NMP’s structure in unprecedented detail. Two dominant nearest-neighbor arrangements are found, where rings are parallel or perpendicular. However, compared with related solvents, NMP has a relatively large population of parallel approaches, similar only to benzene, despite its nonaromaticity and the presence of the normally structure-reducing methyl group. This arrangement is underpinned by NMP’s dipole moment, which has a profound effect on its structure: nearest-neighbor molecules arrange in an antiparallel but offset fashion. This polar-induced order extends beyond the first solvation shell, resulting in ordered trimers that reach the nanometer range. The degree of order and balance of interactions rationalize NMP’s high boiling point and versatile capabilities to solvate both charged and uncharged species.
Issue Date: 27-Sep-2018
Date of Acceptance: 23-Aug-2018
URI: http://hdl.handle.net/10044/1/66790
DOI: https://dx.doi.org/10.1021/acs.jpcb.8b08020
ISSN: 1520-5207
Publisher: American Chemical Society
Start Page: 8963
End Page: 8971
Journal / Book Title: Journal of Physical Chemistry B
Volume: 122
Issue: 38
Copyright Statement: © 2018 American Chemical Society. This is an open access article published under a Creative Commons Attribution (CC-BY - https://creativecommons.org/licenses/by/4.0/) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
Keywords: Science & Technology
Physical Sciences
Chemistry, Physical
Chemistry
WALLED CARBON NANOTUBES
PI-PI INTERACTIONS
SPONTANEOUS DISSOLUTION
SOLUBILITY PARAMETERS
N-METHYLPYRROLIDONE
NEUTRON-SCATTERING
PHASE EXFOLIATION
LAYERED MATERIALS
FULLERIDE ANIONS
GRAPHENE
03 Chemical Sciences
09 Engineering
02 Physical Sciences
Publication Status: Published
Online Publication Date: 2018-08-23
Appears in Collections:Chemistry
Faculty of Natural Sciences



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

Creative Commonsx