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Molecular structure and infrared spectra of dimethyl malonate: A combined quantum chemical and matrix-isolation spectroscopic studyElectronic supplementary information (ESI) available: definition of internal symmetry coordinates used in the normal mode analysis of the conformers of dimethyl malonate. See http://www.rsc.org/suppdata/cp/b2/b206270b/

✍ Scribed by Lopes, Susy; Lapinski, Leszek; Fausto, Rui

Book ID: 120558074
Publisher: Royal Society of Chemistry
Year: 2002
Tongue: English
Weight: 411 KB
Volume: 4
Category: Article
ISSN: 1463-9076
DOI: 10.1039/B206270B

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📜 SIMILAR VOLUMES

Molecular structure and infrared spectra

Molecular structure and infrared spectra of dimethyl fumarateElectronic supplementary information (ESI) available: Definition of internal symmetry coordinates, calculated frequencies, IR intensities, Raman activities, potential energy distributions and optimized conformers I, II and III. See http://www.rsc.org/suppdata/cp/b2/b203246p/

✍ Lopes, Susy; Lapinski, Leszek; Fausto, Rui 📂 Article 📅 2002 🏛 Royal Society of Chemistry 🌐 English ⚖ 353 KB

Low temperature matrix-isolation and sol

Low temperature matrix-isolation and solid state vibrational spectra of 5-chlorotetrazoleElectronic supplementary information (ESI) available: Calculated molecular geometries, rotational constants, energies and dipole moments. Definition of internal symmetry coordinates used in the normal mode analysis. Experimental spectrum of polycrystalline 5-chlorotetrazole and calculated spectrum for the 1H-tautomer. See http://www.rsc.org/suppdata/cp/b1/b111329c/

✍ C. S. Bugalho, Susana; Serra, A. C.; Lapinski, Leszek; S. Cristiano, M. Lurdes; 📂 Article 📅 2002 🏛 Royal Society of Chemistry 🌐 English ⚖ 201 KB

Vibrational spectrum and molecular struc

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/

✍ Reva, Igor; Lapinski, Leszek; Chattopadhyay, Nitin; Fausto, Rui 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 155 KB