Infrared identification of matrix isolated H2O center dot O-2

Cooper PD; Kjaergaard HG; Langford VS; McKinley AJ; Quickenden TI; Robinson TW; Schofield DP

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Infrared identification of matrix isolated H2O center dot O-2

机译：基质分离的H2O中心点O-2的红外识别

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Theoretical studies of the (H2OO2)-O-. complex have been carried out over the past decade, but the complex has not previously been experimentally identified. We have assigned IR vibrations from an (H2OO2)-O-. complex in an inert rare gas matrix. This identification is based upon theoretical calculations and concentration dependent behavior of absorption bands observed upon codeposition of H2O and O-2 in argon matrixes at 11.5 &PLUSMN; 0.5 K. To aid assignment, we have used a harmonically coupled anharmonic oscillator local mode model with an ab initio calculated dipole moment function to calculate the OH-stretching and HOH-bending frequencies and intensities in the complex. The high abundance of H2O and O-2 makes the (H2OO2)-O-. complex likely to be significant in atmospheric and astrophysical chemistry.

机译：（H2OO2）-O-的理论研究。在过去的十年中已经进行了该复合物的制备，但是该复合物以前尚未通过实验鉴定。我们从（H2OO2）-O-处分配了IR振动。惰性稀有气体基质中的配合物。该鉴定是基于理论计算和在11.5和PLUSMN处在氩气基质中H2O和O-2的共沉积时观察到的吸收带的浓度依赖性行为。 0.5K。为辅助分配，我们使用了具有从头算起的偶极矩函数的谐波耦合非谐振荡器局部模式模型来计算复合物中的OH拉伸和HOH弯曲频率和强度。 H2O和O-2的丰度很高，使（H2OO2）-O-成为可能。这种复合物可能在大气和天体化学中具有重要意义。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2005年第19期|共6页
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Cooper PD; Kjaergaard HG; Langford VS; McKinley AJ; Quickenden TI; Robinson TW; Schofield DP;
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CHARGE-TRANSFER COMPLEX; LEVEL AB-INITIO; MOLECULAR-OXYGEN; VIBRATIONAL TRANSITIONS; BAND INTENSITIES; ARGON MATRICES; WATER-VAPOR; PHOTONUCLEATION; ABSORPTION; SPECTRA;

机译：电荷转移络合物;水平AB-INITIO;分子氧;振动跃迁;带强度;键矩阵;水蒸气;光解;吸收;光谱;

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1. Infrared identification of matrix isolated H2O center dot O-2 [J] . Cooper PD, Kjaergaard HG, Langford VS, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2005,第19期

机译：基质分离的H2O中心点O-2的红外识别
2. Synthesis, characterization and crystal structures of three new inorganic dinuclear diperoxo complexes of W(VI) and Mo(VI); Rb-2{O[WO(O-2)(2)H2O](2)}center dot H2O, Rb-2{[MoO(O-2)(2)H2O](2)}center dot H2O and Cs-2{O[MoO(O-2)(2)](2)} [J] . Grzywa M, Nitek W, Lasocha W Journal of Molecular Structure . 2009,第1a3期

机译：W（VI）和Mo（VI）的三种新型无机双核二过氧配合物的合成，表征和晶体结构; Rb-2 {O [WO（O-2）（2）H2O]（2）}中心点H2O，Rb-2 {[MoO（O-2）（2）H2O]（2）}中心点H2O和Cs -2 {O [MoO（O-2）（2）]（2）}
3. Structures of CH3F center dot center dot center dot CH3F and CH3F center dot center dot center dot H2O complexes in a supersonic jet studied by matrix-isolation infrared spectroscopy and density-functional-theory calculation [J] . Futami Y., Kudoh S., Takayanagi M., Chemical Physics Letters . 2002,第3a4期

机译：基质隔离红外光谱法和密度泛函理论计算研究超音速射流中CH3F中心点中心点中心点CH3F和CH3F中心点中心点H2O配合物的结构
4. Comparative evaluation of three-phase isolated matrix-type PFC rectifier concepts for high efficiency 380VDC supplies of future telco and data centers [C] . Cortes Patricio, Bortis Dominik, Pittini Riccardo, European Conference on Power Electronics and Applications . 2014

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5. Infrared spectroscopy of matrix isolated organic peroxyl radicals. [D] . Maccarone, Alan T. 2007

机译：基质分离的有机过氧自由基的红外光谱。
6. In vitro and in vivo stimulation of rat neutrophils and alveolar macrophages by immune complexes. Production of O-2 and H2O2. [O] . P. A. Ward, R. E. Duque, M. C. Sulavik, 1983

机译：免疫复合物在体外和体内刺激大鼠中性粒细胞和肺泡巨噬细胞。生产O-2和H2O2。
7. mu-Ethane-1,2-diylbis(diphenylphosphine oxide)-kappa O-2 : O '-bis[dibenzyldichlorotin(IV)]: a centrosymmetric complex containing trigonal-bipyramidal tin(IV), linked into chains of rings by C-H center dot center dot center dot pi(arene) hydrogen bonds [O] . Mohamed, E M, Panchanatheswaran, K, Low, J N, 2004

机译：mu-Ethane-1,2-diylbis（diphenylphosphine oxide）-κO-2：O'-bis [di苄基二氯锡（IV）]：一种中心对称的络合物，含三角双锥体锡（IV），通过CH中心连接到环链中点中心点中心点pi（芳烃）氢键
8. Infrared Studies: Stark Effects in Hcn, CH3F, CH3I, NH3 and H2O; Hindered Rotation in H2O2; Infrared Absorption of Matrix Isolated NH3 [R] . Hunt, R. H., Maker, P. D., Meredith, R. E. 1964

机译：红外研究：在Hcn，CH3F，CH3I，NH3和H2O中的明显效应; H2O2受阻旋转;基质分离NH3的红外吸收

Infrared identification of matrix isolated H2O center dot O-2

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