التفاصيل البيبلوغرافية
| العنوان: |
Effect of Bulky Anion around the Dication on the Electronic Structure and Normal Frequencies in 1,3-Bis(3-methylimidazolium-1-yl)propane Bis(trifluoromethanesulfonyl)imide Ionic Liquid |
| المؤلفون: |
Nilesh R. Dhumal (1235460), Kyung Seol (11371295), Dmitry Isaev (7947971), Michelle Helminen (11371298), Brooke Williams (5780132), Sherly Latortue (11371301) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biophysics, Biochemistry, Medicine, Microbiology, Pharmacology, Evolutionary Biology, Marine Biology, Plant Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, imide ionic liquid, dicationic ionic liquids, bulky anion around, dication ionic liquids, weak hydrogen bonding, ionic liquids, hydrogen bonding, bonding sites, anions around, vibrational spectrum, relative position, physical properties, normal frequencies, monocation system, molecular level, electronic structure, distinguished based, conformational equilibrium |
| الوصف: |
A manifestation of hydrogen bonding between the dication and anions attributed to their relative position of the anions around the cation can influence both the conformational equilibrium and the physical properties of ionic liquids. With this view, we studied the electronic structure and normal frequencies using density functional theory calculations to analyze the hydrogen-bonding interactions in dicationic ionic liquids. The conformers are distinguished based on the hydrogen-bonding sites of the cation and anion. The weak hydrogen bonding between the dication and anions in dication ionic liquids can lead to greater conformational equilibrium compared to the monocation system. Consequences of these interactions for the vibrational spectrum are analyzed to provide an insight into the conformational equilibrium in dicationic ionic liquids at the molecular level. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| Relation: |
https://figshare.com/articles/journal_contribution/Effect_of_Bulky_Anion_around_the_Dication_on_the_Electronic_Structure_and_Normal_Frequencies_in_1_3-Bis_3-methylimidazolium-1-yl_propane_Bis_trifluoromethanesulfonyl_imide_Ionic_Liquid/16553495 |
| DOI: |
10.1021/acsomega.1c03017.s001 |
| الاتاحة: |
https://doi.org/10.1021/acsomega.1c03017.s001 |
| Rights: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.E3F9E14B |
| قاعدة البيانات: |
BASE |