Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Kasper Mackeprang"'
Publikováno v:
Chemical Physics Letters. 692:291-297
Vibrational transition frequencies and oscillator strengths of the FH-stretching transitions in the FH⋯CO, FH⋯FH, FH⋯CO 2 and FH⋯N 2 complexes were calculated with different vibrational models. The calculated vibrational frequencies were foun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::226e564708ad54318c457c6ec001b244
https://doi.org/10.1016/j.cplett.2017.12.019
https://doi.org/10.1016/j.cplett.2017.12.019
Publikováno v:
The Journal of Physical Chemistry A. 121:3452-3460
This work considers the nature of the intermolecular hydrogen bond in a series of 15 different complexes with OH donor groups and N, O, P, or S acceptor atoms. To complement the existing literature, room-temperature gas-phase vibrational spectra of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ec73000d755f16aa4eb9d02592f8d07
https://doi.org/10.1021/acs.jpca.7b02523
https://doi.org/10.1021/acs.jpca.7b02523
Publikováno v:
Journal of Molecular Spectroscopy. 334:1-9
The local mode perturbation theory (LMPT) model was developed to improve the description of hydrogen bonded XH-stretching transitions, where X is typically O or N. We present a modified version of the LMPT model to extend its application from hydrate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::899e45e154c70884751870ba88638a13
https://doi.org/10.1016/j.jms.2017.02.005
https://doi.org/10.1016/j.jms.2017.02.005
Autor:
Mogens Brøndsted Nielsen, Anders S. Gertsen, Kasper Mackeprang, Jens Vive Kildgaard, Ole Faurskov Nielsen, Kurt V. Mikkelsen, Søren Lindbæk Broman, Anne S. Hansen, Mia Harring Hansen, Henrik G. Kjaergaard
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 161:70-76
The effect of adding electron donating and withdrawing groups on the dihydroazulene (DHA)/vinylheptafulvene (VHF) photochromic system has been investigated using Raman spectroscopy in CS2 solutions. The photoswitching between DHA and VHF is often cha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b4008485deb752acd4345b9b7552d05
https://doi.org/10.1016/j.saa.2016.02.017
https://doi.org/10.1016/j.saa.2016.02.017
Publikováno v:
Chemical Physics Letters. 582:31-37
We have recorded the third OH-stretching overtone region of vapor phase methallyl- and allyl-carbinol with intracavity laser photoacoustic spectroscopy to investigate the effect of the methyl group in methallyl carbinol on the weak intramolecular OH
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33bf98bfcd5273182beef65b5ef847f9
https://doi.org/10.1016/j.cplett.2013.07.038
https://doi.org/10.1016/j.cplett.2013.07.038
Publikováno v:
Phys. Chem. Chem. Phys.. 15:10194-10206
We have measured gas phase vibrational spectra of the bimolecular complex formed between methanol (MeOH) and dimethylamine (DMA) up to about 9800 cm(-1). In addition to the strong fundamental OH-stretching transition we have also detected the weak se
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ade923f886c9107fa1cc07816e309032
https://doi.org/10.1039/c3cp50243k
https://doi.org/10.1039/c3cp50243k
Publikováno v:
Proceedings of the 71st International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d0c63c134204af88a8206ebca49230c4
https://doi.org/10.15278/isms.2016.ti13
https://doi.org/10.15278/isms.2016.ti13
Publikováno v:
Proceedings of the 71st International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::47369273489ff89556ba0e84f0da9f5e
https://doi.org/10.15278/isms.2016.tk05
https://doi.org/10.15278/isms.2016.tk05
Publikováno v:
Hansen, A S, Maroun, Z, Mackeprang, K, Frandsen, B N & Kjærgaard, H G 2016, ' Accurate thermodynamic properties of gas phase hydrogen bonded complexes ', Physical Chemistry Chemical Physics, vol. 18, no. 34, pp. 23831-23839 . https://doi.org/10.1039/C6CP04648G
We have measured the infrared spectra of ethanol·dimethylamine and methanol·dimethylamine complexes in the 299-374 K temperature range, and have determined the enthalpy of complex formation (ΔH) to be -31.1 ± 2 and -29.5 ± 2 kJ mol(-1), respecti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f75f7deafae95ac36918a94793664a99
https://curis.ku.dk/portal/da/publications/accurate-thermodynamic-properties-of-gas-phase-hydrogen-bonded-complexes(2e7b930f-092b-43c1-b340-bd9672937c4e).html
https://curis.ku.dk/portal/da/publications/accurate-thermodynamic-properties-of-gas-phase-hydrogen-bonded-complexes(2e7b930f-092b-43c1-b340-bd9672937c4e).html
Publikováno v:
Mackeprang, K, Xu, Z-H, Maroun, Z, Meuwly, M & Kjærgaard, H G 2016, ' Spectroscopy and dynamics of double proton transfer in formic acid dimer ', Physical Chemistry Chemical Physics, vol. 18, no. 35, pp. 24654-24662 . https://doi.org/10.1039/c6cp03462d
We present the isolated gas phase infrared spectra of formic acid dimer, (HCOOH)2, and its deuterated counterpart formic-d acid, (DCOOH)2, at room temperature. The formic acid dimer spectrum was obtained by spectral subtraction of a spectrum of formi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67b503c2e06800b0d4b1dbb278139d8e