Reactions of laser-ablated iridium atoms with O2.: Infrared spectra and DFT calculations for iridium dioxide and peroxo iridium(VI) dioxide in solid argon

被引：30

作者：

Citra, A ^{[1
]}

Andrews, L ^{[1
]}

机构：

[1] Univ Virginia, Dept Chem, Charlottesville, VA 22901 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1999年 / 103卷 / 21期

关键词：

D O I：

10.1021/jp990388o

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Laser-ablated iridium atoms react with O-2 to give the linear dioxide OIrO and the side-bound dioxygen adduct (O-2)IrO2 as primary reaction products, with nu(3) absorptions at 930.0 and 875.0 cm(-1), respectively. The (nu(1) + nu(3)) combination bands for these species were observed, confirming the assignments of the nu(1) and nu(3) modes for (O-2)IrO2 and providing an estimate for the nu(1) mode in OIrO. The symmetric and antisymmetric stretching modes of the Ir(O-2) ring in (O-2)IrO2 were also observed. Density functional calculations support these assignments and show that the (O-2)IrO2 species is best formulated as a peroxide with iridium in the +6 oxidation state, providing the first example of an iridium(VI) oxo complex.

引用

页码：4182 / 4190

页数：9

共 35 条

[1] INFRARED SPECTRA AND GEOMETRY OF SO2 ISOTOPES IN SOLID KRYPTON MATRICES
ALLAVENA, M
RYSNIK, R
WHITE, D
CALDER, V
MANN, DE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (08) : 3399 - +
[2] Reactions of laser-ablated iron atoms with oxygen molecules: Matrix infrared spectra and density functional calculations of OFeO, FeOO, and Fe(O-2)
Andrews, L
Chertihin, GV
Ricca, A
Bauschlicher, CW
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (02) : 467 - 470
[3] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
BECKE, AD
[J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
[4] PREPARATION AND X-RAY CRYSTAL AND MOLECULAR-STRUCTURE OF DI-MU-DIPHENYLPHOSPHIDO-BIS(TRIPHENYLPHOSPHINECARBONYLIRIDIUM)
BELLON, PL
BENEDICENTI, C
CAGLIO, G
MANASSERO, M
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1973, (24) : 946 - 947
[5] The prediction of vibrational frequencies of inorganic molecules using density functional theory
Bytheway, I
Wong, MW
[J]. CHEMICAL PHYSICS LETTERS, 1998, 282 (3-4) : 219 - 226
[6] Kinetic study of the reaction of Ir(a(4)F(9/2)) with CH4, O-2, and N2O
Campbell, ML
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (49) : 9377 - 9381
[7] Reactions of laser-ablated vanadium atoms with dioxygen. Infrared spectra of VO, VO2, OOVO2, and V2O2 in solid argon
Chertihin, GV
Bare, WD
Andrews, L
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (28) : 5090 - 5096
[8] REACTIONS OF LASER-ABLATED TITANIUM, ZIRCONIUM, AND HAFNIUM ATOMS WITH OXYGEN MOLECULES IN CONDENSING ARGON
CHERTIHIN, GV
ANDREWS, L
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (17) : 6356 - 6366
[9] Reactions of laser-ablated cobalt atoms with O-2. Infrared spectra of cobalt oxides in solid argon
Chertihin, GV
Citra, A
Andrews, L
Bauschlicher, CW
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (47) : 8793 - 8802
[10] XANES AND EXAFS STUDIES ON THE IR-O BOND COVALENCY IN IONIC IRIDIUM PEROVSKITES
CHOY, JH
KIM, DK
HWANG, SH
DEMAZEAU, G
JUNG, DY
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (33) : 8557 - 8566

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