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Titolo:
Matrix infrared spectra and density functional calculations of manganese and rhenium carbonyl neutral and anion complexes
Autore:
Andrews, L; Zhou, MF; Wang, XF; Bauschlicher, CW;
Indirizzi:
Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA Univ Virginia Charlottesville VA USA 22904 Charlottesville, VA 22904 USA NASA, Ames Res Ctr, Moffett Field, CA 94035 USA NASA Moffett Field CA USA94035 Ames Res Ctr, Moffett Field, CA 94035 USA
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY A
fascicolo: 39, volume: 104, anno: 2000,
pagine: 8887 - 8897
SICI:
1089-5639(20001005)104:39<8887:MISADF>2.0.ZU;2-5
Fonte:
ISI
Lingua:
ENG
Soggetto:
TRANSITION-METAL ATOMS; GAUSSIAN-BASIS SETS; SOLID NEON; DIMANGANESE DECACARBONYL; SPECTROSCOPIC DETECTION; CO; MOLECULES; MONOXIDE; MN(CO)5; ENERGY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
48
Recensione:
Indirizzi per estratti:
Indirizzo: Andrews, L Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA Univ Virginia Charlottesville VA USA 22904 ville, VA 22904 USA
Citazione:
L. Andrews et al., "Matrix infrared spectra and density functional calculations of manganese and rhenium carbonyl neutral and anion complexes", J PHYS CH A, 104(39), 2000, pp. 8887-8897

Abstract

Laser-ablated Mn and Re atoms and electrons react with CO upon co-condensation in excess argon and neon to produce carbonyl neutrals and anions. These species are identified through isotopic substitution, CCl4 doping to trapablated electrons, and density functional theory isotopic frequency calculations. MnCO is identified at 1933.6 cm(-1) in argon and at 1950.7 cm(-1) in neon, which are in agreement with the gas phase 1955 +/- 15 cm(-1) photoelectron measurement. MnCO- is found at 1789.4 cm(-1) in argon and 1807.5 cm(-1) in neon. The Mn(CO)(2) and Re(CO)(2) dicarbonyls are major product absorptions. Annealing to allow further reaction of CO produces higher carbonyls including Mn-2(CO)(10) and Re-2(CO)(10) in solid argon. Argon and neon matrix experiments are compared for both metals.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 05/12/20 alle ore 20:22:48