Igor Reva
AuthID: R-000-630
81
TITLE: 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
AUTHORS: Breda, S; Reva, I; Lapinski, L; Fausto, R;
PUBLISHED: 2004, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 6, ISSUE: 5
AUTHORS: Breda, S; Reva, I; Lapinski, L; Fausto, R;
PUBLISHED: 2004, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 6, ISSUE: 5
82
TITLE: 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
AUTHORS: Igor Reva; Leszek Lapinski; Nitin Chattopadhyay; Rui Fausto;
PUBLISHED: 2003, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 5, ISSUE: 18
AUTHORS: Igor Reva; Leszek Lapinski; Nitin Chattopadhyay; Rui Fausto;
PUBLISHED: 2003, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 5, ISSUE: 18
83
TITLE: Matrix isolation FTIR and molecular orbital study of E and Z acetaldoxime monomersElectronic supplementary information (ESI) available: Internal coordinates for the Z and E isomers, calculated barriers for the rotation of methyl groups and the relative energies of the relevant stationary points for acetaldoxime. See http://www.rsc.org/suppdata/cp/b2/b203240f/ Full Text
AUTHORS: Agnieszka Andrzejewska; Leszek Lapinski; Igor Reva; Rui Fausto;
PUBLISHED: 2002, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, ISSUE: 14
AUTHORS: Agnieszka Andrzejewska; Leszek Lapinski; Igor Reva; Rui Fausto;
PUBLISHED: 2002, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, ISSUE: 14
84
TITLE: Matrix-isolation FT-IR spectra and molecular orbital calculations on neutral N,N-dimethylglycine Full Text
AUTHORS: G??mez-Zavaglia, A; Reva, ID; Fausto, R;
PUBLISHED: 2002, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 5, ISSUE: 1
AUTHORS: G??mez-Zavaglia, A; Reva, ID; Fausto, R;
PUBLISHED: 2002, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 5, ISSUE: 1
85
TITLE: The rotamerization of conformers of glycine isolated in inert gas matrices. An infrared spectroscopic study Full Text
AUTHORS: Reva, ID; Plokhotnichenko, AM; Stepanian, SG; Yu Y Ivanov; Radchenko, ED; Sheina, GG; Blagoi, YP;
PUBLISHED: 1995, SOURCE: Chemical Physics Letters, VOLUME: 232, ISSUE: 1-2
AUTHORS: Reva, ID; Plokhotnichenko, AM; Stepanian, SG; Yu Y Ivanov; Radchenko, ED; Sheina, GG; Blagoi, YP;
PUBLISHED: 1995, SOURCE: Chemical Physics Letters, VOLUME: 232, ISSUE: 1-2
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TITLE: The rotamerization of conformers of glycine isolated in inert gas matrices. An infrared spectroscopic study Full Text
AUTHORS: Igor D Reva; Alexander M Plokhotnichenko; Stepan G Stepanian; Alexander Yu Ivanov; Eugeni D Radchenko; Galina G Sheina; Yuri P Blagoi;
PUBLISHED: 1995, SOURCE: Chemical Physics Letters, VOLUME: 232, ISSUE: 1-2
AUTHORS: Igor D Reva; Alexander M Plokhotnichenko; Stepan G Stepanian; Alexander Yu Ivanov; Eugeni D Radchenko; Galina G Sheina; Yuri P Blagoi;
PUBLISHED: 1995, SOURCE: Chemical Physics Letters, VOLUME: 232, ISSUE: 1-2
87
TITLE: Investigation of the glycine molecular structure by the matrix IR-spectroscopy
AUTHORS: Radchenko, ED; Reva, ID; Plokhotnichenko, AM; Stepanian, SG; Sheina, GG; Yu P Blagoi;
PUBLISHED: 1992, SOURCE: Biopolymers and Cell, VOLUME: 8, ISSUE: 1
AUTHORS: Radchenko, ED; Reva, ID; Plokhotnichenko, AM; Stepanian, SG; Sheina, GG; Yu P Blagoi;
PUBLISHED: 1992, SOURCE: Biopolymers and Cell, VOLUME: 8, ISSUE: 1
