Electronic Structures of MCO (M = Nb, Ta, Rh, Ir, Pd, Pt) Molecules by Density Functional Theory-Reference-Cited by-同舟云学术

Electronic Structures of MCO (M = Nb, Ta, Rh, Ir, Pd, Pt) Molecules by Density Functional Theory

Published:2004-11-13 Issue:49 Volume:108 Page:10906-10910
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Wu Z. J.¹,Li H. L.¹,Zhang H. J.¹,Meng J.¹

Affiliation:

1. Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China, and Graduate School of the Chinese Academy of Sciences, Beijing, People's Republic of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp046821y

Reference25 articles.

1. Infrared Spectra of CNbO, CMO-, OMCCO, (C2)MO2, and M(CO)x (x = 1−6) (M = Nb, Ta) in Solid Neon

2. Reactions of Laser-Ablated Co, Rh, and Ir with CO: Infrared Spectra and Density Functional Calculations of the Metal Carbonyl Molecules, Cations and Anions in Solid Neon

3. A comparison of stable carbonyls formed in the gas-phase reaction between group 10 atomic anions and methanol or methoxy radicals: Anion photoelectron spectroscopy and density functional theory calculations on HNiCO−, PdCO−, and PtCO−

4. Reactions of Laser-Ablated Ni, Pd, and Pt Atoms with Carbon Monoxide: Matrix Infrared Spectra and Density Functional Calculations on M(CO)n (n = 1−4), M(CO)n- (n = 1−3), and M(CO)n+ (n = 1−2), (M = Ni, Pd, Pt)

5. Infrared Spectra of RhCO+, RhCO, and RhCO- in Solid Neon: A Scale for Charge in Supported Rh(CO) Catalyst Systems

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