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镧系一氧化物LnO（Ln=La, Ce,Pr,Nd）的电子亲和能
  • ISSN号：1674-0068
  • 期刊名称：《化学物理学报》
  • 时间：0
  • 分类：O[理学]
  • 作者机构：[1]复旦大学化学系上海市分子催化和功能材料重点实验室,上海200433, [2]中国科学院大连化学物理研究所分子反应动力学国家重点实验室,大连116023
  • 相关基金：This work was supported by the National Natural Science Foundation of China （No.20933003） and the National Basic Research Program of China （No.2010CB732306）.
作者： 池超贤[1], 谢华[2], 从然[2], 唐紫超[2], 周鸣飞[1]
关键词： LaO, CE0, Pr0, NdO, 电子亲和能, 光电子成像, 密度泛函, 配位场理论, LaO, CeO, PrO, NdO, Electron affinity, Photoelectron imaging, Density functional calculation, Ligand field theory
中文摘要：

应用光电子成像技术研究了LaO-, CeO-, PRO-和NdO-．从1064nm的振动分辨的光电子能谱得到LaO、CeO、PrO和Ndo的电子亲和能分别为0．99（1）、1．00（1）、1．00（1）和1．01（1）eV．密度泛函计算和NBO分析显示镧系原子的4f电子趋于定域在4f轨道上，不受分子电荷状态的影响．脱附的光电子主要来自镧系金属的6s轨道．配位场理论的纯离子模型假设仍然是分析镧系一氧化物中性或负离子基态的有效方法．

英文摘要：

The photoelectron imagings of LaO-, CeO-, PRO-, and NdO- at 1064 nm are reported. The well resolved photoelectron spectra allow the electron affinities to be determined as 0.99（1） eV for LaO, 1.00（1） eV for CeO, 1.00（1） eV for PrO, and 1.01（1） eV for NdO, respectively. Density functional calculations and natural atomic orbital analyses show that the 4f electrons tend to be localized and suffer little from the charge states of the molecules. The photodetached electron mainly originates from the 6s orbital of the metals. The ligand field theory with the δ=2 assumption is still an effective method to analyze the ground states of the neutral and anionic lanthanide monoxides.

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期刊信息
  • 《化学物理学报》
  • 中国科技核心期刊
  • 主管单位:中国科协
  • 主办单位:中国物理学会
  • 主编：杨学明
  • 地址：合肥中国科学技术大学
  • 邮编：230026
  • 邮箱：cjcp@ustc.edu.cn
  • 电话：0551-3601122
  • 国际标准刊号：ISSN：1674-0068
  • 国内统一刊号：ISSN：34-1295/O6
  • 邮发代号:26-62
  • 获奖情况:
  • 1998年获安徽省优秀科技期刊一等奖
  • 国内外数据库收录:
  • 俄罗斯文摘杂志,美国化学文摘（网络版）,荷兰文摘与引文数据库,美国科学引文索引（扩展库）,英国科学文摘数据库,日本日本科学技术振兴机构数据库,中国中国科技核心期刊,中国北大核心期刊（2004版）,英国英国皇家化学学会文摘,中国北大核心期刊（2000版）
  • 被引量:4282