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Titolo:
Conformational preferences of neurotransmitters: Norephedrine and the adrenaline analogue, 2-methylamino-1-phenylethanol
Autore:
Butz, P; Kroemer, RT; Macleod, NA; Robertson, EG; Simons, JP;
Indirizzi:
Univ Oxford, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England Univ OxfordOxford England OX1 3QZ ret Chem Lab, Oxford OX1 3QZ, England Univ London Queen Mary & Westfield Coll, Dept Chem, London E1 4NS, EnglandUniv London Queen Mary & Westfield Coll London England E1 4NS S, England
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY A
fascicolo: 6, volume: 105, anno: 2001,
pagine: 1050 - 1056
SICI:
1089-5639(20010215)105:6<1050:CPONNA>2.0.ZU;2-5
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELECTRONIC-TRANSITION MOMENT; SINGLY HYDRATED COMPLEX; SEEDED SUPERSONIC JETS; ION-DIP SPECTROSCOPY; 2-PHENYLETHYL ALCOHOL; CONFORMERS; CLUSTERS; GLYCINE; RELAXATION; HISTAMINE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
31
Recensione:
Indirizzi per estratti:
Indirizzo: Simons, JP Univ Oxford, Phys & Theoret Chem Lab, S Parks Rd, Oxford OX1 3QZ, England Univ Oxford S Parks Rd Oxford England OX1 3QZ OX1 3QZ, England
Citazione:
P. Butz et al., "Conformational preferences of neurotransmitters: Norephedrine and the adrenaline analogue, 2-methylamino-1-phenylethanol", J PHYS CH A, 105(6), 2001, pp. 1050-1056

Abstract

The conformational preferences of the neurotransmitters (1R2S) norephedrine and 2-methylamino-1-phenylethanol (MAPE) have been examined under free-jet expansion conditions using a combination of laser-induced fluorescence (LIF), mass-selected resonant 2-photon ionization (R2PI), and infrared ion-dip spectroscopy together with ab initio calculations. Comparison of experimental infrared spectra and rotational band contours with ab initio data has allowed a full structural assignment of three conformers in MAPE and two innorephedrine. All five conformers are stabilized by intramolecular hydrogen bonding between the functional groups of the ethanolamine side chain, with the OH group acting as a proton donor. Further stabilizing interactions are provided by NH . . . pi hydrogen bonds and by dispersive interactions between the methyl group of the side chain and the aromatic ring. A delicate balance of these factors controls both the relative stabilities of the conformers and, through cooperative effects, the strength of the primary OH . ..N hydrogen bond. The existence of a unique IR absorption spectrum for each individual conformer provides a powerful tool for the assignment of molecular conformation.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 23/11/20 alle ore 20:10:15