Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Thomas Brinzer"'
Publikováno v:
The Journal of Physical Chemistry Letters. 9:1393-1397
Molecular dynamics (MD) simulations validated against two-dimensional infrared (2D-IR) measurements of CO2 in an imidazolium-based ionic liquid have revealed new insights into the mechanism of CO2 solvation. The first solvation shell around CO2 has a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::077fa4c27b7550e399834d7a11e0fc79
https://doi.org/10.1021/acs.jpclett.8b00347
https://doi.org/10.1021/acs.jpclett.8b00347
Two-dimensional infrared spectroscopy (2D-IR) probes the local solvent structure and dynamics of the nu3 mode (BH antisymmetric stretch) of borohydride (BH4- ) in aqueous solution. The 2D-IR spectra of the BH stretches have broad and overlapping band
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8bb766461e10341741c9331ccacd73a8
https://doi.org/10.26434/chemrxiv.9874694.v1
https://doi.org/10.26434/chemrxiv.9874694.v1
Autor:
Thomas Brinzer, Sean Garrett-Roe, Zachary M. Campbell, Eric J. Berquist, Steven A. Corcelli, Krista K. Bullard, Daniel S. Lambrecht, Clyde A. Daly
Publikováno v:
The Journal of Physical Chemistry B. 121:208-220
This work elucidates the molecular binding mechanism of CO2 in [C4C1IM][PF6] ionic liquid (IL) and its interplay with the CO2 asymmetric stretch frequency ν3, and establishes computational protocols for the reliable construction of spectroscopic map
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f3a2a6d834ff82724bc642a7a52a663f
https://doi.org/10.1021/acs.jpcb.6b09489
https://doi.org/10.1021/acs.jpcb.6b09489
Autor:
Thomas Brinzer, Daniel S. Lambrecht, Eric J. Berquist, Steven A. Corcelli, Clyde A. Daly, Sean Garrett-Roe
Publikováno v:
The Journal of Physical Chemistry B. 120:12633-12642
The primary challenge for connecting molecular dynamics (MD) simulations to linear and two-dimensional infrared measurements is the calculation of the vibrational frequency for the chromophore of interest. Computing the vibrational frequency at each
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8382301d36aaf3caecfe7887b84ce54a
https://doi.org/10.1021/acs.jpcb.6b09509
https://doi.org/10.1021/acs.jpcb.6b09509
Publikováno v:
The journal of physical chemistry. B. 122(38)
In recent years, interest in carbon capture and sequestration has led to numerous investigations of the ability of ionic liquids to act as recyclable CO2-sorbent materials. Herein, we investigate the structure and dynamics of a model physisorbing ion
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::beac9054c7a1441065a7958d9566c74a
https://pubmed.ncbi.nlm.nih.gov/30160958
https://pubmed.ncbi.nlm.nih.gov/30160958
Publikováno v:
The journal of physical chemistry letters. 9(6)
Molecular dynamics (MD) simulations validated against two-dimensional infrared (2D-IR) measurements of CO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::1b5fdcb31225348139ffd8c5f78bdd01
https://pubmed.ncbi.nlm.nih.gov/29504771
https://pubmed.ncbi.nlm.nih.gov/29504771
Publikováno v:
The Journal of Physical Chemistry B. 119:4699-4712
Ultrafast two-dimensional infrared spectroscopy (2D-IR) of thiocyanate ([SCN]−) in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C4C1im][NTf2]) and 1-butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide ([C4C1C1(2)im][N
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e1dcb3e65af4770251123220f79154c
https://doi.org/10.1021/jp512851v
https://doi.org/10.1021/jp512851v
Publikováno v:
Physical Chemistry Chemical Physics. 17:26575-26579
The stereochemistry and the reaction rates of bimolecular nucleophilic substitution reactions involving azides in ionic liquids are governed by solute–solvent interactions. Two-dimensional ultrafast vibrational spectroscopy (2D-IR) shows that the p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f7b59d748cb3304508f1d7216bf178f
https://doi.org/10.1039/c5cp02119g
https://doi.org/10.1039/c5cp02119g
Publikováno v:
RSC Advances. 5:76291-76295
Hollow spherical gold nanoparticle superstructures having different average diameters (∼75 nm and ∼150 nm) and near-infrared (NIR) extinction were prepared and loaded with an anti-cancer drug, doxorubicin (DOX). The stability of these structures
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4904b151cb723b3008f06e1c18aed672
https://doi.org/10.1039/c5ra15492h
https://doi.org/10.1039/c5ra15492h
Autor:
Newell R. Washburn, Thomas Brinzer, Sean Garrett-Roe, Hunaid B. Nulwala, Elliot Roth, David R. Luebke, Xu Zhou, John D. Watkins, Anna S. Ivanova, Victor A. Kusuma, David G. Hopkinson
Publikováno v:
RSC Advances. 5:51407-51412
A simple binary system of compounds resembling short-chain versions of popular ionic liquids has been shown to have surprisingly complex properties. Combining methylated versions of pyridinium and pyrrolidinium bis[(trifluoromethyl)sulfonyl]imide gav
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc88a453024c6811f31f0a750af43687
https://doi.org/10.1039/c5ra06561e
https://doi.org/10.1039/c5ra06561e