A new interpretation of the IR bands of supported Rh(I) monocarbonyl complexes

Georgi N. Vayssilov; Notker Rösch

doi:10.1021/ja011688y

A new interpretation of the IR bands of supported Rh(I) monocarbonyl complexes

Georgi N. Vayssilov, Notker Rösch

Professur für Theoretische Chemie (2008 — 2024)

Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung

34 Zitate (Scopus)

Abstract

The characteristic CO vibrational frequency of supported monocarbonyl complexes Rh¹CO, at 2014 and 1984 cm^-1 on dealuminated Y zeolite and alumina, respectively, is lower than the frequencies of both the symmetric and the antisymmetric CO normal modes of the corresponding stable supported Rh(1) dicarbonyls. The CO mode with a measured frequency between those of the symmetric and antisymmetric CO frequencies of the dicarbonyls, previously assigned to rhodium monocarbonyl, is reassigned to mixed carbonyl dihydrogen complexes Rh(H₂)(CO) or Rh(H)₂(CO). This reassignment is based on a critical analysis of reported experimental data, supplemented by quantum chemical calculations.

Originalsprache	Englisch
Seiten (von - bis)	3783-3786
Seitenumfang	4
Fachzeitschrift	Journal of the American Chemical Society
Jahrgang	124
Ausgabenummer	14
DOIs	https://doi.org/10.1021/ja011688y
Publikationsstatus	Veröffentlicht - 10 Apr. 2002

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10.1021/ja011688y

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abstract = "The characteristic CO vibrational frequency of supported monocarbonyl complexes Rh1CO, at 2014 and 1984 cm-1 on dealuminated Y zeolite and alumina, respectively, is lower than the frequencies of both the symmetric and the antisymmetric CO normal modes of the corresponding stable supported Rh(1) dicarbonyls. The CO mode with a measured frequency between those of the symmetric and antisymmetric CO frequencies of the dicarbonyls, previously assigned to rhodium monocarbonyl, is reassigned to mixed carbonyl dihydrogen complexes Rh(H2)(CO) or Rh(H)2(CO). This reassignment is based on a critical analysis of reported experimental data, supplemented by quantum chemical calculations.",

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N2 - The characteristic CO vibrational frequency of supported monocarbonyl complexes Rh1CO, at 2014 and 1984 cm-1 on dealuminated Y zeolite and alumina, respectively, is lower than the frequencies of both the symmetric and the antisymmetric CO normal modes of the corresponding stable supported Rh(1) dicarbonyls. The CO mode with a measured frequency between those of the symmetric and antisymmetric CO frequencies of the dicarbonyls, previously assigned to rhodium monocarbonyl, is reassigned to mixed carbonyl dihydrogen complexes Rh(H2)(CO) or Rh(H)2(CO). This reassignment is based on a critical analysis of reported experimental data, supplemented by quantum chemical calculations.

AB - The characteristic CO vibrational frequency of supported monocarbonyl complexes Rh1CO, at 2014 and 1984 cm-1 on dealuminated Y zeolite and alumina, respectively, is lower than the frequencies of both the symmetric and the antisymmetric CO normal modes of the corresponding stable supported Rh(1) dicarbonyls. The CO mode with a measured frequency between those of the symmetric and antisymmetric CO frequencies of the dicarbonyls, previously assigned to rhodium monocarbonyl, is reassigned to mixed carbonyl dihydrogen complexes Rh(H2)(CO) or Rh(H)2(CO). This reassignment is based on a critical analysis of reported experimental data, supplemented by quantum chemical calculations.

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JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

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A new interpretation of the IR bands of supported Rh(I) monocarbonyl complexes

Abstract

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