Conformational analysis of (S)-(+)-1-bromo-2-methylbutane and the influence of bromine on conformational stability (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Conformational analysis of (S)-(+)-1-bromo-2-methylbutane and the influence of bromine on conformational stability (Articolo in rivista) (literal)

Anno

• 2002-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1021/jp021422t (literal)

Alternative label

• Wang, F; Polavarapu, PL ; Lebon, F ; Longhi, G ; Abbate, S ; Catellani, M (2002)
  Conformational analysis of (S)-(+)-1-bromo-2-methylbutane and the influence of bromine on conformational stability
  in The journal of physical chemistry. A
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Wang, F; Polavarapu, PL ; Lebon, F ; Longhi, G ; Abbate, S ; Catellani, M (literal)

Pagina inizio

• 12365 (literal)

Pagina fine

• 12369 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

• http://pubs.acs.org/doi/abs/10.1021/jp021422t (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 106 (literal)

Rivista

• ?The ?journal of physical chemistry. A (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 5 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 51 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Wang, F; Polavarapu, PL Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA Lebon, F ; Longhi, G ; Abbate, S Univ Brescia, Dip Sci Biomed & Biotecnol, I-25123 Brescia, Italy Catellani, M ISMAC CNR (literal)

Titolo

• Conformational analysis of (S)-(+)-1-bromo-2-methylbutane and the influence of bromine on conformational stability (literal)

Abstract

• (S)-(+)-1-bromo-2-methylbutane was investigated using vibrational circular dichroism (VCD). Experimental absorption and VCD spectra of (+)-1-bromo-2-methylbutane in CDCl3 solution were recorded in the 2000-900 cm(-1) re-ion, and they were compared with the ab initio predictions of absorption and VCD spectra obtained with density functional theory using the B3LYP/6-31G* basis set for (S)-1-bromo-2-methylbutane. This comparison indicates that (+)-1-bromo-2-methylbutane is of the (S) configuration and exists in several conformations. The results obtained for (S)-(+)-1-bromo-2-methylbutane are also compared to those for (S)-(+)-3-(2-methylbutyl)thiophene, which indicates that the predominant conformations are influenced by the substitution of bromine with thiophene ring. (literal)

Prodotto di

• Sviluppo di Materiali e Dispositivi per il Fotovoltaico Organico (PM.P04.001.005) (Modulo)
• Istituto per lo studio delle macromolecole (ISMAC) (Istituto)

Autore CNR

• MARINELLA CATELLANI (Persona)

Incoming links:

Prodotto

• Istituto per lo studio delle macromolecole (ISMAC) (Istituto)
• Sviluppo di Materiali e Dispositivi per il Fotovoltaico Organico (PM.P04.001.005) (Modulo)

Autore CNR di

• MARINELLA CATELLANI (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• ?The ?journal of physical chemistry. A (Rivista)