Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/91159
Title: | Matrix isolation study of methyl propiolate in argon and nitrogen matrices | Authors: | Lopes, Susy Nikitin, Timur Rui Fausto |
Keywords: | Methyl propiolate; Photoinduced conformational change; Matrix isolation; IR spectra | Issue Date: | 16-Jun-2020 | Publisher: | Elsevier | Project: | info:eu-repo/grantAgreement/PTDC/QEQ-QFI/3284/2014/PT info:eu-repo/grantAgreement/POCI-01-0145-FEDER-01661/PT info:eu-repo/grantAgreement/FCT/UI0313/QUI/2020/PT |
Serial title, monograph or event: | Chemical Physics Letters | Volume: | 749 | Abstract: | Methyl propiolate (HCtriple bondCCOOCH3, MP) isolated in argon and nitrogen matrices was experimentally studied by infrared spectroscopy and by quantum chemical calculations. The calculations, carried out at the DFT(B3LYP) and MP2 levels of theory, predict the existence of two conformers with a planar skeleton. In situ broadband UV light (λ > 200 nm) irradiation of matrix-isolated MP led to the production of new bands ascribed to conformer II testifying the occurrence of the I →II photoisomerization. No other photochemical processes were observed. Assignment of the IR spectra of both conformers is presented, considerably extending the vibrational information available for this molecule hitherto. | URI: | https://hdl.handle.net/10316/91159 | ISSN: | 00092614 | DOI: | 10.1016/j.cplett.2020.137427 | Rights: | embargoedAccess |
Appears in Collections: | I&D CQC - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Chem_Phys_Lett_749_2020_137427.pdf | 723.16 kB | Adobe PDF | View/Open |
SCOPUSTM
Citations
2
checked on Sep 30, 2024
WEB OF SCIENCETM
Citations
3
checked on Oct 2, 2024
Page view(s)
142
checked on Oct 1, 2024
Download(s)
148
checked on Oct 1, 2024
Google ScholarTM
Check
Altmetric
Altmetric
This item is licensed under a Creative Commons License