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Zhang Q, Zhao Y, Gong Y, et al. Matrix isolation infrared spectroscopic and theoretical study of dinuclear chromium oxide clusters: Cr2On (n = 2, 4, 6) in solid argon. J Phys Chem A. 2007;111(39):9775-80doi: 10.1021/jp073599z.
Zhang, Q., Zhao, Y., Gong, Y., & Zhou, M. (2007). Matrix isolation infrared spectroscopic and theoretical study of dinuclear chromium oxide clusters: Cr2On (n = 2, 4, 6) in solid argon. The journal of physical chemistry. A, 111(39), 9775-80. https://doi.org/10.1021/jp073599z
Zhang, Qingqing, et al. "Matrix isolation infrared spectroscopic and theoretical study of dinuclear chromium oxide clusters: Cr2On (n = 2, 4, 6) in solid argon." The journal of physical chemistry. A vol. 111,39 (2007): 9775-80. doi: https://doi.org/10.1021/jp073599z
Zhang Q, Zhao Y, Gong Y, Zhou M. Matrix isolation infrared spectroscopic and theoretical study of dinuclear chromium oxide clusters: Cr2On (n = 2, 4, 6) in solid argon. J Phys Chem A. 2007 Oct 04;111(39):9775-80. doi: 10.1021/jp073599z. Epub 2007 Sep 07. PMID: 17824595.
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J Phys Chem A. 2007 Oct 04;111(39):9775-80. doi: 10.1021/jp073599z. Epub 2007 Sep 07.

Matrix isolation infrared spectroscopic and theoretical study of dinuclear chromium oxide clusters: Cr2On (n = 2, 4, 6) in solid argon.

The journal of physical chemistry. A

Qingqing Zhang, Yanying Zhao, Yu Gong, Mingfei Zhou

Affiliations

  1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Advanced Materials Laboratory, Fudan University, Shanghai 200433, People's Republic of China.

PMID: 17824595 DOI: 10.1021/jp073599z

Abstract

Dichromium oxide clusters, Cr2O2, Cr2O4, and Cr2O6, have been prepared and characterized by matrix isolation infrared spectroscopy and quantum chemical calculations. Laser-evaporated chromium atoms reacted with O2 in solid argon to form the previously characterized CrO2 molecules, which further reacted with chromium atoms to form Cr2O2 spontaneously on annealing. The Cr2O2 cluster is determined to have a chainlike CrOCrO structure. The rhombic ring isomer, which was predicted to be more stable than the CrOCrO structure, was not formed at the present experimental conditions. The Cr2O4 cluster was formed from the barrierless dimerization of the chromium dioxide molecules, which is characterized to have a planar D2h symmetry. TheCr2O6 cluster was produced under UV light irradiation. It is determined to have a singlet ground state with a nonplanar D2h symmetry.

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