Scholarlink

<p>The structural dynamics of metal carbonyls are central to processes ranging from catalysis to organometallic synthesis. Here we investigate the photodissociation of a prototypical transition metal carbonyl, Fe(CO)<sub>5</sub>, using mega-electron-volt ultrafast electron diffraction. By separately tracking structural evolution along the axial and equatorial directions, we provide an atomistic, angle-resolved view of the nuclear motions preceding CO dissociation and infer key features of the excited-state potential energy surface from the experimental observations. We further show that vibrational coupling before reaching the conical intersection facilitates the loss of a random carbonyl ligand via the Berry pseudorotation mechanism.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Berry pseudorotation enabled photodissociation of Fe(CO)5 observed by ultrafast electron diffraction

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年6月3日

查看全文
  • Haoran Ma,
  • J. Pedro F. Nunes,
  • Ambar Banerjee,
  • Martin Centurion,
  • Kareem Hegazy,
  • Renkai Li,
  • Yusong Liu,
  • Xiaozhe Shen,
  • Xijie Wang,
  • Stephen Weathersby,
  • Philippe Wernet,
  • Thomas J. A. Wolf,
  • Michael Odelius,
  • Jie Yang

摘要

The structural dynamics of metal carbonyls are central to processes ranging from catalysis to organometallic synthesis. Here we investigate the photodissociation of a prototypical transition metal carbonyl, Fe(CO)5, using mega-electron-volt ultrafast electron diffraction. By separately tracking structural evolution along the axial and equatorial directions, we provide an atomistic, angle-resolved view of the nuclear motions preceding CO dissociation and infer key features of the excited-state potential energy surface from the experimental observations. We further show that vibrational coupling before reaching the conical intersection facilitates the loss of a random carbonyl ligand via the Berry pseudorotation mechanism.