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Pregled bibliografske jedinice broj: 72533

Ab initio Hartree-Fock investigation of 1-H-pyrrolo[3, 2-b]pyridine-3-yl acetic acid


Ramek, Michael; Tomić, Sanja
Ab initio Hartree-Fock investigation of 1-H-pyrrolo[3, 2-b]pyridine-3-yl acetic acid // Spectrochimica Acta A, 57 (2001), 1951-1957 (međunarodna recenzija, članak, znanstveni)


Naslov
Ab initio Hartree-Fock investigation of 1-H-pyrrolo[3, 2-b]pyridine-3-yl acetic acid

Autori
Ramek, Michael ; Tomić, Sanja

Izvornik
Spectrochimica Acta A (1386-1425) 57 (2001); 1951-1957

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
1-H-Pyrrolo[3; 2-b]pyridine-3-yl acetic acid; ab initio; conformational analysis

Sažetak
The results for various derivatives of 3-indole acetic acid (IAA) show that the shape of the potential energy surface (PES) is strongly influenced by the substituent at position 4. In particular, the sequence 4-Cl-IAA, 4-Me-IAA, and IAA is remarkable: the PES of IAA and 4-Cl-IAA are quite different, and that of 4-Me-IAA is somewhere inbetween these two, showing elements of both extremes. Therefore the idea was tempting to extend this series in a suitable manner. Since the combined steric and electronic effect of the substituent in 4-Cl-IAA is very effective in blocking the side chain, the other end of the series seemed to be more promising: changing the C-H fragment into a nitrogen atom should reduce the steric impact to a minimum.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
00980608

Ustanove
Institut "Ruđer Bošković", Zagreb

Autor s matičnim brojem:
Sanja Tomić, (113604)

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE