Why Binding Energy increases with the increasing Oxidation State - XPS analysis

Why Binding Energy increases with the increasing Oxidation State - XPS analysis

Understanding Binding Energy and Oxidation States in XPS Analysis

The Concept of Binding Energy

  • Binding energy is likened to a fingerprint, unique for each element, crucial for identifying elements in X-ray Photoelectron Spectroscopy (XPS).
  • Each element, such as lead, copper, silver, or gold, has a distinct binding energy that helps in their identification through XPS spectra.
  • The binding energy values are compared against a reference table containing data for all detectable elements except hydrogen and helium.

Oxidation State and Its Impact on Binding Energy

  • Oxidation state refers to the loss or gain of electrons by an atom; positive oxidation states indicate electron loss while negative indicates gain.
  • As oxidation states increase (e.g., titanium from 0 to +4), the binding energy also increases due to greater positive charge attracting remaining electrons more strongly.

Mechanism Behind Increased Binding Energy

  • When titanium loses electrons and becomes positively charged (e.g., Ti²⁺), it exerts a stronger attractive force on its remaining electrons.
  • Removing additional electrons (e.g., forming Ti⁴⁺) further increases the positive charge, making it increasingly difficult to remove remaining electrons due to higher binding energy requirements.

Observing Variations in Binding Energy

  • High-resolution XPS spectra reveal variations in binding energies across different oxidation states of titanium through distinct peaks.
  • For iron with two oxidation states (Fe²⁺ and Fe³⁺), changes in electronic configuration affect its binding energy significantly.

Case Study: Iron's Oxidation States

  • Iron's electronic configuration shows that upon losing two electrons (to form Fe²⁺), it experiences increased binding energy due to enhanced nuclear attraction on remaining electrons.
  • Further oxidation leads to even higher positive charges which result in progressively higher binding energies as more electrons are removed.
Video description

Why Binding Energy (BE) increases with increasing Oxidation State? In x-ray Photoelectron Spectroscopy (XPS), BE is just like a fingerprint. Every elements has a unique BE just like every human being has a unique fingerprint. The BE value for all elements are stored in the BE Table just like our fingerprints are stored in online systems. What is oxidation state? The oxidation state of an element means the loss or gain of electrons. When the oxidation state increases (more positive), an atom loses outer shell electrons. This reduction in the number of electrons results in a decreased shielding effect on the nucleus, which means that the remaining electrons experience a greater influence from the positively charged nucleus thereby higher the BE. Here the Ti, Ti (II) and T (IV) shows different BE because of the different oxidation states. This kind of information can be revealed by running high resolution XPS spectra. Oxidation State Chemical State Binding Energy Ti (0) Ti 453.9 eV Ti (II) TiO 455.2 eV Ti (IV) TiO2 458.7 eV Let’s consider the case of iron (Fe) in different oxidation states, such as Fe²⁺ and Fe³⁺: Fe³⁺ has lost three electrons as compare to Fe²⁺, which has lost two electrons. Therefore, the former has higher BE than the later. To sum up, it is a general trend that by increasing oxidation state increases the BE of that element and vice versa. Best luck! Please subscribe to my channel and share it.