Zobrazeno 1 - 10
of 242
pro vyhledávání: '"Martin A, Suhm"'
Publikováno v:
Physical Chemistry Chemical Physics. 25:11324-11330
Despite OH stretch excitation, the hydrogen atom between two TEMPO radicals does not tunnel fast enough to show up as a splitting in the supersonic jet infrared spectrum.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1445f1c4fde3030f5bcdc49d0a5a0450
https://doi.org/10.1039/d3cp01156a
https://doi.org/10.1039/d3cp01156a
Publikováno v:
Physical Chemistry Chemical Physics. 25:10427-10439
In contrast to standard DFT predictions, 2-naphthol is shown to dock on the oxygen of anisole, with excitation-dependent angular geometry.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::10d9de82cd5620cbd46596b44bef5c0b
https://doi.org/10.1039/d3cp00160a
https://doi.org/10.1039/d3cp00160a
Publikováno v:
Symmetry, Vol 14, Iss 2, p 357 (2022)
Prereactive complexes in noncovalent organocatalysis are sensitive to the relative chirality of the binding partners and to hydrogen bond isomerism. Both effects are present when a transiently chiral alcohol docks on a chiral α-hydroxy ester, turnin
Externí odkaz:
https://doaj.org/article/2652c62adef043caa79a096cca92d078
Autor:
Dominic Bernhard, Fabian Dietrich, Mariyam Fatima, Cristóbal Pérez, Hannes C. Gottschalk, Axel Wuttke, Ricardo A. Mata, Martin A. Suhm, Melanie Schnell, Markus Gerhards
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 14, Iss 1, Pp 1642-1654 (2018)
The structure of the isolated aggregate of phenyl vinyl ether and methanol is studied by combining a multi-spectroscopic approach and quantum-chemical calculations in order to investigate the delicate interplay of noncovalent interactions. The comple
Externí odkaz:
https://doaj.org/article/e3255db89f3849c99068e649af867559
Publikováno v:
Molecules, Vol 27, Iss 1, p 101 (2021)
Rotational microwave jet spectroscopy studies of the monoterpenol α-fenchol have so far failed to identify its second most stable torsional conformer, despite computational predictions that it is only very slightly higher in energy than the global m
Externí odkaz:
https://doaj.org/article/23a81590f29546f3b53c9cac0c12897b
Publikováno v:
Molecules, Vol 26, Iss 16, p 4883 (2021)
Phenol is added to acetophenone (methyl phenyl ketone) and to six of its halogenated derivatives in a supersonic jet expansion to determine the hydrogen bonding preference of the cold and isolated 1:1 complexes by linear infrared spectroscopy. Haloge
Externí odkaz:
https://doaj.org/article/02593454d83b492482efb70d43ced66f
Autor:
Maxim Gawrilow, Martin A. Suhm
Publikováno v:
Molecules, Vol 26, Iss 15, p 4523 (2021)
The conformational preferences of the ester group have the potential to facilitate the large amplitude folding of long alkyl chains in the gas phase. They are monitored by Raman spectroscopy in supersonic jet expansions for the model system methyl bu
Externí odkaz:
https://doaj.org/article/18c1edd217d34f4b8aac1f5e0edcdba0
Autor:
Hannes C. Gottschalk, Taija L. Fischer, Volker Meyer, Reinhard Hildebrandt, Ulrich Schmitt, Martin A. Suhm
Publikováno v:
Instruments, Vol 5, Iss 1, p 12 (2021)
Fourier transform infrared (FTIR) absorption spectroscopy of cold molecules and clusters in supersonic slit jet expansions complements and extends more sensitive action spectroscopy techniques and provides important reference data for the latter. We
Externí odkaz:
https://doaj.org/article/1a67010b4738402dbfdb0b3b856b7484
Autor:
Taija L. Fischer, Margarethe Bödecker, Sophie M. Schweer, Jennifer Dupont, Valéria Lepère, Anne Zehnacker-Rentien, Martin A. Suhm, Benjamin Schröder, Tobias Henkes, Diego M. Andrada, Roman M. Balabin, Haobam K. Singh, Himangshu P. Bhattacharyya, Manabendra Sarma, Silvan Käser, Kai Töpfer, Luis I. Vazquez-Salazar, Eric D. Boittier, Markus Meuwly, Giacomo Mandelli, Cecilia Lanzi, Riccardo Conte, Michele Ceotto, Fabian Dietrich, Vicente Cisternas, Ramachandran Gnanasekaran, Michael Hippler, Mahmoud Jarraya, Majdi Hochlaf, Narasimhan Viswanathan, Thomas Nevolianis, Gabriel Rath, Wassja A. Kopp, Kai Leonhard, Ricardo A. Mata
Vibrational spectroscopy in supersonic jet expansions is a powerful tool to assess molecular aggregates in close to ideal conditions for the benchmarking of quantum chemical approaches. The low temperatures achieved as well as the absence of environm
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0c725ada1fd627bac47f41fe6c01ca63
https://doi.org/10.26434/chemrxiv-2023-wd261-v2
https://doi.org/10.26434/chemrxiv-2023-wd261-v2
Publikováno v:
Molecules, Vol 25, Iss 21, p 5095 (2020)
The influence of distant London dispersion forces on the docking preference of alcohols of different size between the two lone electron pairs of the carbonyl group in pinacolone was explored by infrared spectroscopy of the OH stretching fundamental i
Externí odkaz:
https://doaj.org/article/de96ca093efd4872835c134c02813c39