Study of the physical basis of chemical properties

Application of quantum mechanics to chemical systems

Understanding molecular structures

Explaining chemical reactions

Particles exhibit both wavelike and particlelike properties

Example: Electrons in an atom

Introduced by Werner Heisenberg

States that position and momentum cannot be simultaneously measured with absolute precision

Describes how the quantum state of a physical system changes over time

Fundamental equation in quantum mechanics

Determines the energy level of an electron

Values: n = 1, 2, 3, ...

Describes the shape of an orbital

Values: l = 0 to n1

Determines the orientation of the orbital in space

Values: m_l = l to +l

Describes the intrinsic spin of the electron

Values: m_s = +1/2 or 1/2

Sharing of electron pairs between atoms

Example: Hydrogen molecule (H2)

Transfer of electrons from one atom to another

Example: Sodium chloride (NaCl)

Electron sea model

Example: Metals like copper (Cu)

Electrons transition between energy levels

Spectral lines correspond to specific energy differences

UVVisible Spectroscopy

Infrared (IR) Spectroscopy

Nuclear Magnetic Resonance (NMR) Spectroscopy

Designing drugs based on molecular interactions

Understanding how drugs bind to targets

Developing new materials with desired properties

Example: Superconductors and semiconductors

Studying chemical reactions in the atmosphere

Understanding ozone depletion and climate change

Use of supercomputers for complex simulations

Development of new algorithms for quantum calculations

Potential to revolutionize chemical simulations

Solving complex chemical problems more efficiently

Manipulating matter at the atomic and molecular scale

Creating new devices and materials with unique properties