2024-03-29T15:42:17Zhttps://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/254702021-06-23T11:53:12Zcom_10324_1186com_10324_931com_10324_894col_10324_1404
Écija, Patricia
1474e9f6-d149-4991-bb88-044b4e713375
500
Vallejo López, Montserrat
51c21473-8442-47b8-a9ae-3b08a207ba3e
500
Uriarte, Iciar
868a3d29-4028-479d-9330-847d08199a01
500
Basterretxea, Francisco José
a6539756-e7c9-4c6b-86c0-4c8cc828a54b
500
Lesarri Gómez, Alberto Eugenio
ba5d73079848f072
500
0000-0002-0646-6341
Fernández Escudero, José Antonio
86429ca3bb1b8d3d
500
Cocinero, Emilio José
fc2a783f-46fc-4f11-be88-2cbeadeffe85
500
2017-09-09T10:55:33Z
2017-12-31T00:40:53Z
2016
ChemPhysChem 2016, 17, 3030 – 3034
http://uvadoc.uva.es/handle/10324/25470
10.1002/cphc.201600368
Producción Científica
The rotational spectrum of the tropane alkaloid scopine has been detected by Fourier transform microwave spectroscopy in a pulsed supersonic jet. A non-conventional method for bringing the molecules intact into the gas phase was used, mixing scopine syrup with solid glycine powder and vaporizing the solid mixture with an UV ultrafast laser beam. Laser vaporization prevented the easy isomerization to scopoline previously observed when conventional heating. A single conformer was unambiguously observed in the supersonic jet, which corresponds to the energetically most stable species according to quantum chemistry calculations. Rotational and centrifugal distortion constants have been accurately determined. The spectrum reveals hyperfine splittings due to the combined effect of hindered rotation of the methyl group and the presence of a quadrupolar nucleus (14N). This additional information allowed determining the angle of N-methyl inversion between the N- CH3 bond and the bicyclic C-N-C plane (135o), as well as the internal rotation barrier of the methyl group (6.24(1) kJ mol-1).
2017-12-31
MINECO-FEDER CTQ-2014-54464-R, CTQ-2015-68148
application/pdf
eng
Wiley-VCH
info:eu-repo/semantics/openAccess
Scopine isolated in the gas phase
info:eu-repo/semantics/article
dos.org/10.1002/cphc.201600368
SI
THUMBNAIL
Manuscript_Scopine_V9_Alberto.pdf.jpg
Manuscript_Scopine_V9_Alberto.pdf.jpg
IM Thumbnail
image/jpeg
3739
https://uvadoc.uva.es/bitstream/10324/25470/3/Manuscript_Scopine_V9_Alberto.pdf.jpg
3edecb75e98ed5a1ea2638fbfa0ace38
MD5
3
LICENSE
license.txt
license.txt
text/plain
4250
https://uvadoc.uva.es/bitstream/10324/25470/2/license.txt
909e634ba52becf192e4e9b4bcde7863
MD5
2
ORIGINAL
Manuscript_Scopine_V9_Alberto.pdf
Manuscript_Scopine_V9_Alberto.pdf
application/pdf
1570950
https://uvadoc.uva.es/bitstream/10324/25470/1/Manuscript_Scopine_V9_Alberto.pdf
f535d6ae82001b981b09b4f9e949cb07
MD5
1
10324/25470
oai:uvadoc.uva.es:10324/25470
2021-06-23 13:53:12.128
UVaDOC
repositorio@uva.es
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