yttrium monoxide | 12036-00-9

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属有机体
• 英文名称: yttrium monoxide
• CAS: 12036-00-9
• 化学式: OY
• 分子量: 104.905
• InChiKey: APUGIHICMSAKGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.12
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  氢化钇 、 一氧化二氮 以 gaseous matrix 为溶剂， 生成 yttrium monoxide
  参考文献：
  名称：

  气相一氧化钇的 X2Σ+ 状态的精细和超精细结构

  摘要：

  摘要 以亚多普勒分辨率研究了气相一氧化钇的 A2Πr-X2Σ+ 可见光谱，以获得有关自旋旋转和 89Y 核磁超精细相互作用的信息。观察结果符合有效的哈密顿模型，该模型忽略了激发电子态中的核磁超精细相互作用。给出了根据可能的电子配置对确定参数的解释。

  DOI：

  10.1016/0022-2852(87)90221-9

文献信息

• A microwave-optical double-resonance study of gas-phase yttrium monoxide
  作者：Timothy C. Steimle、Yahya Al-Ramadin

  DOI：10.1016/0009-2614(86)80429-8

  日期：——

  Microwave-optical double-resonance signals for the N = 1→2 and N = 3→4 transitions of gas-phase yttrium monoxide in its ground electronic state have been recorded. A comparison with the simulated spectrum produced using the spectroscopic parameters derived from a recent analysis of the sub-Doppler optical spectrum is made.

  记录了处于基态电子状态的气相一氧化钇的N = 1→2和N = 3→4跃迁的微波双共振信号。与使用从最近的亚多普勒光谱分析得出的光谱参数产生的模拟光谱进行了比较。
• Kinetic study of gas-phase Y(a 2D3/2) and La(a 2D3/2) with O2, N2O, CO2 and NO
  作者：Mark L. Campbell

  DOI：10.1016/s0009-2614(98)00905-1

  日期：1998.9

  The second-order rate constants of gas-phase Y(a(2)D(3/2)) and La(a(2)D(3/2)) with O-2, N2O, CO2 and NO as a function of temperature are reported. In all cases, the reactions are relatively fast. For Y(a(2)D(3/2)), the bimolecular rate constants (in cm(3) s(-1)) are described in Arrhenius form by k(O-2) = (2.2 +/- 0.1) X 10(-10) exp(-3.5 +/- 0.6 kJ mol(-1)/RT), k(N2O) = (1.9 +/- 0.2) X 10(-10) exp( -4.0 +/- 0.8 kJ mol(-1)/RT), k(CO2) = (1.0 +/- 0.1) x 10(-10) exp(-2.3 +/- 0.6 kJ mol(-1)/RT), where the uncertainties are +/-2 sigma. The rate constants for Y reacting with NO are temperature insensitive with a value of 1.0 X 10(-10) cm(3) s(-1). For La(a(2)D(3/2)), the bimolecular rate constants for all the reactants are near the gas-kinetic collision rate. (C) 1998 Published by Elsevier Science B.V. All rights reserved.
• Fine and magnetic hyperfine structure in the <i>A</i> ²Π and <i>X</i> ²∑⁺ states of yttrium monoxide
  作者：W. J. Childs、O. Poulsen、T. C. Steimle

  DOI：10.1063/1.454186

  日期：1988.1.15

  A molecular beam optical and rf–optical double resonance spectroscopic study of numerous vibrational components in the A2Π3/2–X2∑+ subband of gas phase YO has been performed. The fine and magnetic hyperfine parameters for v=0–4 of the X2∑+ state have been determined. The observed strong vibrational dependence of the spin–rotation parameter γ(X2∑+) is proposed to arise from a perturbation from two as yet unobserved low-lying 2Π states coming from a three open-shell configuration. The magnetic hyperfine parameters for the X2∑+ state can be interpreted in terms of a single unpaired electron model. An estimate for the A2Π excited state dipolar parameter has been established.
• Rydberg and pulsed field ionization-zero electron kinetic energy spectra of YO
  作者：Colan Linton、Benoit Simard、Hans Peter Loock、Sara Wallin、Gretchen K. Rothschopf、Robert F. Gunion、Michael D. Morse、Peter B. Armentrout

  DOI：10.1063/1.479759

  日期：1999.9.15

  A spectroscopic study of the Rydberg states of YO accessed from particular rotational levels of the A 2Π1/2, v=0 state has been combined with a pulsed field ionization, zero electron kinetic energy (PFI-ZEKE) investigation. The results provide accurate values of the ionization energy of YO, ionization energy I.E.(YO)=49 304.316(31) cm−1 [6.112 958(4) eV], and of the rotational constant (and bond length) of the YO+ cation in its X 1Σ+, v=0 ground state, B0+=0.4078(3) cm−1 [r0=1.7463(6) Å]. The improved value of I.E.(YO) combined with the known ionization energy of atomic yttrium then leads to the result D00(Y−O)−D00(Y−O)=0.1041±0.0001 eV. Combining this result with the value of D00(Y+−O) obtained from guided ion beam mass spectrometry yields an improved value of D00(Y−O)=7.14±0.18 eV. The PFI-ZEKE spectra display an interesting channel-coupling effect so that all rotational levels with J+⩽J′(A)+0.5 are observed with high intensity, where J+ is the angular momentum of the YO+ cation that is produced and J′(A) is the angular momentum of the A 2Π1/2 state that is reached when the first photon is absorbed. This is thought to result from the interaction between the dipole moment of the rotating YO+ core and the Rydberg electron, which can induce changes in l and J+ subject to the dipolar coupling matrix element selection rule, ΔJ+=±1, Δl=±1. The channel-coupling mechanism also appears to induce an inverse autoionization process in which an unbound electron with a low value of l is captured either by its low-J+ YO+ cation or by a second YO+ cation with the same value of J+. This inverse autoionization process is extremely sensitive to the electron kinetic energy, leading to narrow peaks in the PFI-ZEKE spectrum which are only slightly broader than the laser linewidth employed for this study (0.25 cm−1).