Please use this identifier to cite or link to this item:
Title: Selective IR-induced isomerization of 1,2-dichloropropane isolated in xenon matrix
Authors: Olbert-Majkut, Adriana 
Reva, Igor D. 
Fausto, Rui 
Issue Date: 2008
Citation: Chemical Physics Letters. 456:4-6 (2008) 127-134
Abstract: The conformations of monomeric 1,2-dichloropropane isolated in low temperature xenon matrix were characterized experimentally using FTIR spectroscopy. The interpretation of the experimental spectra was aided by ab initio MP2/6-311++G(3df,3pd) calculations. Relative energies of three structures, differing by the orientation of the Cl-C-C-Cl dihedral angle, fall within 0-6 kJ mol-1 range. The spectral signatures of all three conformers were identified experimentally. Infrared irradiation of the matrix isolated compound resulted in selective conversion of the most stable Trans conformer into the higher energy Gauche+ rotamer, while the Gauche- conformer remained unaffected. This result was interpreted in terms of calculated energy barriers and dipole moments.
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

Files in This Item:
File Description SizeFormat
filec5af21d234d64ca29a37339fb830b96d.pdf335.8 kBAdobe PDFView/Open
Show full item record

Page view(s) 50

checked on Jul 1, 2020


checked on Jul 1, 2020

Google ScholarTM


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