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41

TÃTULO: 4,6-dimethyl-alpha-pyrone: a matrix isolation study of the photochemical generation of conjugated ketene, Dewar valence isomer and 1,3-dimethyl-cyclobutadiene Full Text
AUTORES: Breda, S; Lapinski, L; Reva, I ; Fausto, R ;
PUBLICAÇÃO: 2004, FONTE: JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, VOLUME: 162, NÚMERO: 1

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42

TÃTULO: Matrix isolation FTIR and theoretical study of alpha-pyrone photochemistry
AUTORES: Breda, S; Reva, I ; Lapinski, L; Fausto, R ;
PUBLICAÇÃO: 2004, FONTE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 6, NÚMERO: 5

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43

TÃTULO: Matrix isolation FTIR and theoretical study of ?-pyrone photochemistryElectronic supplementary information (ESI) available: Tables S1, S2, S3, S12 and S14 provide internal coordinates used in the normal modes analysis for ?-pyrone, 2-oxa-3-oxobicyclo[2.2.0]hex-5-ene, open-ring aldehyde?ketene isomers, cyclobutadiene and 4-formyl-2-cyclobutene-1-one. Experimental infrared spectra of ?-pyrone isolated in Xe matrix are compared with the theoretical spectra in Fig. S1. Table S4 provides the assignment of infrared observed bands and the calculated vibrational frequencies, intensities and potential energy distribution for ?-pyrone monomer. Calculated vibrational frequencies, intensities and potential energy distributions for all open-ring aldehyde?ketene conformers and for 4-formyl-2-cyclobutene-1-one monomer (forms A and B) are listed in Tables S5?S11 and Table S15, respectively. Table S13 provides the assignment of infrared observed bands and the calculated vibrational frequencies, intensities and potential energy distribution for cyclobutadiene monomer. Fig. S2 presents differential spectra showing the progress of the irradiation experiments. The optimized structure for the ?-pyrone analogue of benzvalene is shown in Fig. S3. Fig. S4 illustrates the observed photochemistry of ?-pyrone in an argon matrix. See http://www.rsc.org/suppdata/cp/b3/b309660b/ Full Text
AUTORES: Breda, S; Reva, I; Lapinski, L; Fausto, R;
PUBLICAÇÃO: 2004, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 6, NÚMERO: 5

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44

TÃTULO: Rotational isomers of lactic acid: first experimental observation of higher energy formsElectronic supplementary information (ESI) available: optimised geometries, and calculated and observed frequencies and intensities. See http://www.rsc.org/suppdata/cp/b3/b316642b/ Full Text
AUTORES: Ana Borba; Andrea G�mez-Zavaglia; Leszek Lapinski; Fausto, R;
PUBLICAÇÃO: 2004, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 6, NÚMERO: 9

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45

TÃTULO: Vibrational spectrum and molecular structure of triphenylamine monomer: A combined matrix-isolation FTIR and theoretical study Full Text
AUTORES: Reva, I ; Lapinski, L; Chattopadhyay, N; Fausto, R ;
PUBLICAÇÃO: 2003, FONTE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 5, NÚMERO: 18

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46

TÃTULO: Photochemical ring-opening reaction in 2(1H)-pyrimidinones: A matrix isolation study
AUTORES: Lapinski, L; Rostkowska, H; Khvorostov, A; Fausto, R ; Nowak, MJ;
PUBLICAÇÃO: 2003, FONTE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 107, NÚMERO: 31

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47

TÃTULO: Photoisomerization reactions of 4-methoxy- and 4-hydroxy-6-methyl-alpha-pyrones: An experimental matrix isolation and theoretical density functional theory study Full Text
AUTORES: Breda, S; Lapinski, L; Fausto, R ; Nowak, MJ;
PUBLICAÇÃO: 2003, FONTE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 5, NÚMERO: 20

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48

TÃTULO: Vibrational spectrum and molecular structure of triphenylamine monomer: A combined matrix-isolation FTIR and theoretical studyElectronic supplementary information (ESI) available: Fig. S1 provides atom numbering and Table S1 optimized geometry parameters and rotational constants for the TPA molecule. Table S2 provides a list of calculated frequencies and descriptions for fully symmetrical (A1) vibrations in the TPA monomer. Figs. S2?S4 present changes in the TPA molecule geometry during potential energy scans with different symmetry restrictions.See http://www.rsc.org/suppdata/cp/b3/b306489a/ Full Text
AUTORES: Igor Reva; Leszek Lapinski; Nitin Chattopadhyay; Rui Fausto;
PUBLICAÇÃO: 2003, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 5, NÚMERO: 18

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49

TÃTULO: Vibrational spectra and structure of 1-phenyltetrazole and 5-chloro-1-phenyltetrazole - A combined study by low temperature matrix isolation and solid state FTIR spectroscopy and DFT calculations Full Text
AUTORES: Bugalho, SCS; Lapinski, L; Cristiano, MLS ; Frija, LMT ; Fausto, R ;
PUBLICAÇÃO: 2002, FONTE: VIBRATIONAL SPECTROSCOPY, VOLUME: 30, NÚMERO: 2

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50

TÃTULO: Photoisomerization of p-(dimethylamino)-beta-chlorostyrene: A low temperature matrix isolation FTIR study
AUTORES: Chattopadhyay, N; Reva, I ; Lapinski, L; Fausto, R ; Arnaut, LG ; Formosinho, SJ ;
PUBLICAÇÃO: 2002, FONTE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 106, NÚMERO: 15

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