publication . Article . 2007

Molecular Structure, Vibrational Spectra, Quantum Chemical Calculations and Photochemistry of Picolinamide and Isonicotinamide Isolated in Cryogenic Inert Matrixes and in the Neat Low-Temperature Solid Phases

Borba, Ana; Gómez-Zavaglia, Andrea; Fausto, R.;
Open Access English
  • Published: 01 Dec 2007
  • Publisher: American Chemical Society
Abstract
Picolinamide (PA) and isonicotinamide (INA), two structural isomers of pyridinecarboxamide, have been investigated by matrix isolation and low-temperature solid-state infrared spectroscopy, combined with UV (λ > 235 nm) photoexcitation and density functional theory and ab initio (MP2) theoretical studies. In consonance with the theoretical data, both PA and INA were found to exist in a single conformation in cryogenic rare gas matrixes. Comparison between the experimental spectra of the matrix-isolated compounds with those theoretically predicted allowed for full assignment of the experimental spectra. In situ UV (λ > 235 nm) irradiation of the matrixes showed t...
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Project
SFRH/BD/21543/2005
MOLECULAR STRUCTURE, PHOTOCHEMISTRY AND SPECTROSCOPY OF MONOMERS AND MOLECULAR CLUSTERS OF AMIDE AND AMINE DERIVATIVES OF MONO- AND DIAZINES AS STUDIED BY MATRIX ISOLATION AND PULSED SUPERSONIC SLIT-JET EXPANSION INFRARED SPECTROSCOPY
  • Funder: Fundação para a Ciência e a Tecnologia, I.P. (FCT)
  • Project Code: SFRH/BD/21543/2005
  • Funding stream: SFRH | Doutoramento
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Article . 2007
58 references, page 1 of 4

(1) Pero, R. W.; Olsson, A.; Amiri, A.; David, C. Cancer Detect. PreV. 1998, 22, 225.

(2) Kawabata, T.; Ogino, T.; Mori, M.; Awai, M. Acta Pathol. Jpn. 1992, 42, 469.

(3) Ogata, S.; Takeuchi, M.; Teradaira, S.; Yamamoto, N.; Iwata, K.; Okumura, K.; Taguchi, H. Biosci. Biotechnol. Biochem. 2002, 66, 641.

(4) Ogata, S.; Takeuchi, M.; Fujita, H.; Shibata, K.; Okumura, K.; Taguchi, H. Biosci. Biotechnol. Biochem. 1998, 62, 2351.

(5) Shimai, T.; Islam, T.; Fukushi, Y.; Hashidoko, Y.; Yokosawa, R.; Tahara, S. Z. Naturforsch. 2002, 57, 323.

(6) Sarma, R. H.; Woronick, C. L. Biochemistry 1972, 11, 170.

(7) Yamamoto, H.; Okamoto, H. Biochem. Biophys. Res. Commun. 1980, 95, 474.

(8) Yurdakul, S.; Atacü, A.; Sahin, E.; IÄde, S. Vib. Spectrosc. 2003, 31, (9) Singa, N. C.; Sathyanarayana, D. N. Spectrochim. Acta, Part A 1998, 54, 1059.

(10) Anad, J.; Singha, N. C.; Sathyanarayana, D. N. J. Mol. Struct. 1997, 412, 221.

(11) Olsen, R. A.; Liu, L.; Ghaderi, N.; Johns, A.; Hatcher, M. E.; Mueller, L. J. J. Am. Chem. Soc. 2003, 125, 10125.

(12) Leskowitz, G. M.; Ghaderi, N.; Olsen, R. A.; Pederson, K.; Hatcher, M. E.; Mueller, L. J. J. Phys. Chem. A 2005, 109, 1152.

(13) Bakiler, M.; Bolukbasi, O.; Yilmaz, A. J. Mol. Struct. 2007, 826, (14) Filho, O. T.; Pinheiro, J. C.; Costa, E. B.; Kondo, R. T.; Souza, R. A.; Nogueira, V. M.; Mauro, A. E. THEOCHEM 2006, 763, 175.

(15) Akalin, E.; Yilmaz, A.; Akyuz, S. J. Mol. Struct. 2005, 881, 744.

(16) Takano, T.; Sasada, Y.; Kakudo, M. Acta Crystallogr. 1966, 21, 514.

(17) Aakero¨y, C. B.; Beatty, A. M.; Helfrich, B. A.; Nieuwenhuyzen, M. Cryst. Growth Des. 2003, 3, 159.

58 references, page 1 of 4
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