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Titolo:
Normal coordinate analysis of 4-aminopyridine. Effect of substituent on pyridine ring in metal complexes of 4-substituted pyridines
Autore:
Topacli, A; Bayari, S;
Indirizzi:
Hacettepe Univ, Dept Engn Phys, Fac Engn, TR-06532 Ankara, Turkey Hacettepe Univ Ankara Turkey TR-06532 Fac Engn, TR-06532 Ankara, Turkey Hacettepe Univ, Fac Educ, Dept Phys, TR-06532 Ankara, Turkey Hacettepe Univ Ankara Turkey TR-06532 Dept Phys, TR-06532 Ankara, Turkey
Titolo Testata:
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
fascicolo: 7, volume: 57, anno: 2001,
pagine: 1385 - 1391
SICI:
1386-1425(200106)57:7<1385:NCAO4E>2.0.ZU;2-B
Fonte:
ISI
Lingua:
ENG
Soggetto:
HOFMANN-TYPE COMPLEXES; MOLECULAR-FORCE FIELD; TETRACYANONICKELATE COMPLEXES; VIBRATIONAL ASSIGNMENTS; RAMAN-SPECTRA; DERIVATIVES;
Keywords:
4-aminopyridine; force field; 4-substituted pyridines; Urey-Bradley;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
25
Recensione:
Indirizzi per estratti:
Indirizzo: Topacli, A Hacettepe Univ, Dept Engn Phys, Fac Engn, TR-06532 Ankara, Turkey Hacettepe Univ Ankara Turkey TR-06532 TR-06532 Ankara, Turkey
Citazione:
A. Topacli e S. Bayari, "Normal coordinate analysis of 4-aminopyridine. Effect of substituent on pyridine ring in metal complexes of 4-substituted pyridines", SPECT ACT A, 57(7), 2001, pp. 1385-1391

Abstract

The normal coordinate analysis has been performed for 4-aminopyridine (4-apy) assuming C-2v molecular symmetry, A Urey-Bradley force field has been used. The force constants are adjusted to fit the observed frequencies for 4-apy and its deuterated species. The vibrational assignment has been made on the basis of the calculated frequencies and potential energy distributions. The calculated frequencies were in good agreement with the observed frequencies. The substituent effect upon the M-nitrogen (ligand) (L =4-methlypyridine, 4-ethylpyridine, 4-vinylpyridine, 4-aminopyridine and 4-cyanopyridine) and pyridine ring frequencies has also been investigated. The frequencyshifts are found to be sensitive to the substituent in the 4-position of the pyridine ring. (C) 2001 Elsevier Science B.V. All rights reserved.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 15/07/20 alle ore 21:34:35