Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/18073
DC FieldValueLanguage
dc.contributor.authorReva, Igor-
dc.contributor.authorLapinski, Leszek-
dc.contributor.authorFausto, Rui-
dc.date.accessioned2012-01-02T11:32:10Z-
dc.date.available2012-01-02T11:32:10Z-
dc.date.issued2010-07-
dc.identifier.urihttp://hdl.handle.net/10316/18073-
dc.description.abstractThe infrared spectra of methyl isocyanate monomer isolated in cryogenic argon, xenon and nitrogen matrices were studied. Interpretation of the experimental results was supported by harmonic and anharmonic calculations carried out at the DFT, MP2 and CCSD levels of approximation. Spectral indicators of the molecule structural flexibility were examined, the most striking of these being the multiplet structure of the most intense infrared band due to the antisymmetric stretching vibration of the NCO group. The observed quadruplet, spanning over the frequency range of nearly 100 cm−1, between 2350 and 2250 cm−1, was interpreted in terms of coupling with the low frequency torsion of the methyl group.por
dc.language.isoengpor
dc.publisherElsevierpor
dc.rightsopenAccesspor
dc.titleInfrared spectra of methyl isocyanate isolated in Ar, Xe and N2 matricespor
dc.typearticlepor
degois.publication.firstPage333por
degois.publication.lastPage341por
degois.publication.titleJournal of Molecular Structurepor
dc.peerreviewedYespor
dc.identifier.doi10.1016/j.molstruc.2010.03.081-
degois.publication.volume976por
uc.controloAutoridadeSim-
item.grantfulltextopen-
item.languageiso639-1en-
item.fulltextCom Texto completo-
crisitem.author.deptFaculty of Sciences and Technology-
crisitem.author.deptFaculty of Sciences and Technology-
crisitem.author.parentdeptUniversity of Coimbra-
crisitem.author.parentdeptUniversity of Coimbra-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.orcid0000-0001-5983-7743-
crisitem.author.orcid0000-0003-2896-4007-
crisitem.author.orcid0000-0002-8264-6854-
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais
Files in This Item:
File Description SizeFormat
Journal of Molecular Structure, 976 (2010) 333.pdf683.18 kBAdobe PDFView/Open
Show simple item record

SCOPUSTM   
Citations

14
checked on May 29, 2020

WEB OF SCIENCETM
Citations 5

16
checked on Jan 2, 2022

Page view(s) 50

416
checked on Dec 21, 2021

Download(s)

222
checked on Dec 21, 2021

Google ScholarTM

Check

Altmetric

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.