Zobrazeno 1 - 10
of 87
pro vyhledávání: '"J. Mathias WEBER"'
Publikováno v:
The Journal of Physical Chemistry A. 127:2258-2264
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c676418126816e38641e99809371bf22
https://doi.org/10.1021/acs.jpca.2c07996
https://doi.org/10.1021/acs.jpca.2c07996
We investigate the microhydration structures of complexes of alkaline earth dications and ethylenediaminetetraacetic acid (EDTA) for up to two water molecules, using cryogenic ion vibrational spectroscopy in concert with density functional theory. Th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ccdaa2a1cefdc101059905b734ed93aa
https://doi.org/10.26434/chemrxiv-2023-2ckbx
https://doi.org/10.26434/chemrxiv-2023-2ckbx
Autor:
Wyatt Zagorec-Marks, Erik K. Schneider, Patrick Weis, Leah G. Dodson, J. Mathias Weber, Manfred M. Kappes
Publikováno v:
Journal of the American Chemical Society. 143:17778-17785
We investigated the structural and spectroscopic properties of singly deprotonated biliverdin anions in vacuo, using a combination of cryogenic ion spectroscopy, ion mobility spectrometry, and density functional theory. The ion mobility results show
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1408b4fbdda97b9056a9db47b3808193
https://doi.org/10.1021/jacs.1c08701
https://doi.org/10.1021/jacs.1c08701
The vibrational spectra of cold complexes of ethylenediaminetetraacetic acid (EDTA) with transition metal dications in vacuo show how the electronic structure of the metal provides a geometric template for interaction with the functional groups of th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba99e1979a2230a0fbdd68b1dfa0dd1c
https://doi.org/10.26434/chemrxiv-2022-s6z4k
https://doi.org/10.26434/chemrxiv-2022-s6z4k
The symmetric (νs) and antisymmetric (νas) OCO stretching modes of carboxylate containing compounds encode structural information that can be difficult to decipher due to the sensitivity of these spectral features to small shifts in charge distribu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5c898bd00859929179789c4278da9883
https://doi.org/10.26434/chemrxiv-2022-39dc0
https://doi.org/10.26434/chemrxiv-2022-39dc0
Publikováno v:
The Journal of Physical Chemistry A. 125:7297-7302
We report the vibrational spectrum of a metal-organic complex consisting of a Co center surrounded by two bipyridine-based ligands and explore the change of the spectrum upon addition of a formate ligand to the complex. We assign the spectra using de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dddb8cb70f6c64057d7033c934e728ce
https://doi.org/10.1021/acs.jpca.1c06037
https://doi.org/10.1021/acs.jpca.1c06037
Autor:
Madison M. Foreman, J. Mathias Weber
Publikováno v:
The journal of physical chemistry letters. 13(36)
The interactions between molecular hosts and ionic guests and their dependence on the chemical environment are challenging to disentangle from solution data alone. The vibrational spectra of cold complexes of ethylenediaminetetraacetic acid (EDTA) ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::399e9190ef58c1f11f593f1811bb6ebf
https://pubmed.ncbi.nlm.nih.gov/36067512
https://pubmed.ncbi.nlm.nih.gov/36067512
Autor:
Madison Foreman, J. Mathias WEBER
The interactions between molecular hosts and ionic guests and how the chemical environment in aqueous solutions changes these interactions are challenging to disentangle from solution data alone. The vibrational spectra of cold complexes of ethylened
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2bde5c8f3f1a4c2367c9b86efb798080
https://doi.org/10.26434/chemrxiv-2022-pzj5p
https://doi.org/10.26434/chemrxiv-2022-pzj5p
Publikováno v:
The Journal of Physical Chemistry A. 124:7827-7831
We report infrared spectra of a model chromophore of green fluorescent protein, prepared in an ion trap at temperatures ranging from 30 K to room temperature. We compare the changes in the infrared spectrum with predicted infrared spectra for the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5c3befc813fee41fa6765b75c9aea3b
https://doi.org/10.1021/acs.jpca.0c07172
https://doi.org/10.1021/acs.jpca.0c07172
Publikováno v:
The Journal of Physical Chemistry Letters. 11:7212-7217
Photoluminescence upconversion in crystalline rubrene can proceed without an added sensitizer, but the mechanism for this process has not been well-understood. In particular, the species responsible for photon absorption has not been identified to da
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01650873d1b8f4ecf3fd3f7536960299
https://doi.org/10.1021/acs.jpclett.0c01999
https://doi.org/10.1021/acs.jpclett.0c01999