guest ::
| Home > Publications database > Deciphering the rotational spectrum of the first excited torsional state of propylene oxide > print |
| Home > Publications database > Deciphering the rotational spectrum of the first excited torsional state of propylene oxide > print |
| 001 | 457327 | ||
| 005 | 20250716150712.0 | ||
| 024 | 7 | _ | |a 10.1016/j.jms.2021.111445 |2 doi |
| 024 | 7 | _ | |a 0022-2852 |2 ISSN |
| 024 | 7 | _ | |a 1096-083X |2 ISSN |
| 024 | 7 | _ | |a altmetric:106322832 |2 altmetric |
| 024 | 7 | _ | |a WOS:000660002400008 |2 WOS |
| 024 | 7 | _ | |a 10.3204/PUBDB-2021-01986 |2 datacite_doi |
| 024 | 7 | _ | |2 openalex |a openalex:W3141725119 |
| 037 | _ | _ | |a PUBDB-2021-01986 |
| 041 | _ | _ | |a English |
| 082 | _ | _ | |a 530 |
| 100 | 1 | _ | |a Stahl, Pascal |0 P:(DE-HGF)0 |b 0 |e Corresponding author |
| 245 | _ | _ | |a Deciphering the rotational spectrum of the first excited torsional state of propylene oxide |
| 260 | _ | _ | |a Orlando, Fla. |c 2021 |b Academic Press |
| 336 | 7 | _ | |a article |2 DRIVER |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1620653905_24377 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 520 | _ | _ | |a The first excited torsional state of the chiral molecule propylene oxide, $CH_3C_2H_3O$, is investigated from millimeter up to sub-millimeter wavelengths (75–950 GHz). The first excited vibrational mode of propylene oxide, $\nu_{24}$, is analysed using the programs ERHAM and XIAM. Rotational constants and tunneling parameters are provided, and a description of the A-E splittings due to internal rotation is given. Furthermore, the potential barrier height to internal rotation, $V_3$, is determined to be $V_3$ 0 898.6611 (894) cm $^{-1}$. Our results are compared with quantum chemical calculations and literature values. We present a line list of the dense spectrum of the first excited torsional state of propylene oxide in the (sub-) millimeter range. Our results will be useful for further studies of chiral molecules in vibrationally excited states and will enable astronomers to search for rotational transitions originating from $\nu_{24}$ of propylene oxide in interstellar space. |
| 536 | _ | _ | |a 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) |0 G:(DE-HGF)POF4-631 |c POF4-631 |f POF IV |x 0 |
| 536 | _ | _ | |a ASTROROT - Unraveling interstellar chemistry with broadband microwave spectroscopy and next-generation telescope arrays (638027) |0 G:(EU-Grant)638027 |c 638027 |f ERC-2014-STG |x 1 |
| 588 | _ | _ | |a Dataset connected to CrossRef, Journals: bib-pubdb1.desy.de |
| 693 | _ | _ | |0 EXP:(DE-MLZ)NOSPEC-20140101 |5 EXP:(DE-MLZ)NOSPEC-20140101 |e No specific instrument |x 0 |
| 700 | 1 | _ | |a Arenas, Benjamin E. |0 P:(DE-H253)PIP1027609 |b 1 |u desy |
| 700 | 1 | _ | |a Zingsheim, Oliver |0 P:(DE-HGF)0 |b 2 |
| 700 | 1 | _ | |a Schnell, Melanie |0 P:(DE-H253)PIP1013514 |b 3 |u desy |
| 700 | 1 | _ | |a Margulès, Laurent |0 P:(DE-HGF)0 |b 4 |
| 700 | 1 | _ | |a Motiyenko, Roman A. |0 P:(DE-HGF)0 |b 5 |
| 700 | 1 | _ | |a Fuchs, Guido W. |0 P:(DE-HGF)0 |b 6 |
| 700 | 1 | _ | |a Giesen, Thomas F. |0 P:(DE-HGF)0 |b 7 |
| 773 | _ | _ | |a 10.1016/j.jms.2021.111445 |g Vol. 378, p. 111445 - |0 PERI:(DE-600)1469771-3 |p 111445 |t Journal of molecular spectroscopy |v 378 |y 2021 |x 0022-2852 |
| 856 | 4 | _ | |y Restricted |u https://bib-pubdb1.desy.de/record/457327/files/Propylene_oxide_JMS_2021.pdf |
| 856 | 4 | _ | |y Published on 2021-04-01. Available in OpenAccess from 2022-04-01. |u https://bib-pubdb1.desy.de/record/457327/files/Propylene_oxide_JMS_2021_accepted.pdf |
| 856 | 4 | _ | |y Restricted |x pdfa |u https://bib-pubdb1.desy.de/record/457327/files/Propylene_oxide_JMS_2021.pdf?subformat=pdfa |
| 856 | 4 | _ | |y Published on 2021-04-01. Available in OpenAccess from 2022-04-01. |x pdfa |u https://bib-pubdb1.desy.de/record/457327/files/Propylene_oxide_JMS_2021_accepted.pdf?subformat=pdfa |
| 909 | C | O | |o oai:bib-pubdb1.desy.de:457327 |p openaire |p open_access |p driver |p VDB |p ec_fundedresources |p dnbdelivery |
| 910 | 1 | _ | |a Deutsches Elektronen-Synchrotron |0 I:(DE-588b)2008985-5 |k DESY |b 1 |6 P:(DE-H253)PIP1027609 |
| 910 | 1 | _ | |a Centre for Free-Electron Laser Science |0 I:(DE-H253)_CFEL-20120731 |k CFEL |b 1 |6 P:(DE-H253)PIP1027609 |
| 910 | 1 | _ | |a Deutsches Elektronen-Synchrotron |0 I:(DE-588b)2008985-5 |k DESY |b 3 |6 P:(DE-H253)PIP1013514 |
| 910 | 1 | _ | |a Centre for Free-Electron Laser Science |0 I:(DE-H253)_CFEL-20120731 |k CFEL |b 3 |6 P:(DE-H253)PIP1013514 |
| 913 | 1 | _ | |a DE-HGF |b Forschungsbereich Materie |l From Matter to Materials and Life |1 G:(DE-HGF)POF4-630 |0 G:(DE-HGF)POF4-631 |3 G:(DE-HGF)POF4 |2 G:(DE-HGF)POF4-600 |4 G:(DE-HGF)POF |v Matter – Dynamics, Mechanisms and Control |x 0 |
| 913 | 0 | _ | |a DE-HGF |b Forschungsbereich Materie |l Von Materie zu Materialien und Leben |1 G:(DE-HGF)POF3-620 |0 G:(DE-HGF)POF3-621 |3 G:(DE-HGF)POF3 |2 G:(DE-HGF)POF3-600 |4 G:(DE-HGF)POF |v In-house research on the structure, dynamics and function of matter |9 G:(DE-HGF)POF3-6211 |x 0 |
| 914 | 1 | _ | |y 2021 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0200 |2 StatID |b SCOPUS |d 2021-01-26 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0300 |2 StatID |b Medline |d 2021-01-26 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0600 |2 StatID |b Ebsco Academic Search |d 2021-01-26 |
| 915 | _ | _ | |a Embargoed OpenAccess |0 StatID:(DE-HGF)0530 |2 StatID |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)1150 |2 StatID |b Current Contents - Physical, Chemical and Earth Sciences |d 2021-01-26 |
| 915 | _ | _ | |a WoS |0 StatID:(DE-HGF)0113 |2 StatID |b Science Citation Index Expanded |d 2021-01-26 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0150 |2 StatID |b Web of Science Core Collection |d 2021-01-26 |
| 915 | _ | _ | |a IF < 5 |0 StatID:(DE-HGF)9900 |2 StatID |d 2021-01-26 |
| 915 | _ | _ | |a Peer Review |0 StatID:(DE-HGF)0030 |2 StatID |b ASC |d 2021-01-26 |
| 915 | _ | _ | |a JCR |0 StatID:(DE-HGF)0100 |2 StatID |b J MOL SPECTROSC : 2019 |d 2021-01-26 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0160 |2 StatID |b Essential Science Indicators |d 2021-01-26 |
| 915 | _ | _ | |a Nationallizenz |0 StatID:(DE-HGF)0420 |2 StatID |d 2021-01-26 |w ger |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0199 |2 StatID |b Clarivate Analytics Master Journal List |d 2021-01-26 |
| 920 | 1 | _ | |0 I:(DE-H253)FS-SMP-20171124 |k FS-SMP |l Spectroscopy of molecular processes |x 0 |
| 920 | 1 | _ | |0 I:(DE-H253)CFEL-SDCCM-20160915 |k CFEL-SDCCM |l MPSD |x 1 |
| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a UNRESTRICTED |
| 980 | _ | _ | |a I:(DE-H253)FS-SMP-20171124 |
| 980 | _ | _ | |a I:(DE-H253)CFEL-SDCCM-20160915 |
| 980 | 1 | _ | |a FullTexts |
| Library | Collection | CLSMajor | CLSMinor | Language | Author |
|---|