Molecular Structure
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Molecular structure (molecular geometry) is a one of the most fundamental properties of molecules, which characterizes spatial positions of the atoms that constitute a molecule. This term is usually referred to the geometrical structure of molecules in gas phase.
Types of molecular structure
| Type | Description | Methods |
|---|---|---|
| re | Equilibrium structure. | QC |
| rg | Thermally averaged structure. Geometrically inconsistent. | GED |
| ra | Average structure used for calculation of molecular scattering intensity. | GED |
| rs | Effective structure derived from isotopic differences in rotational constants. | MW, HRMS |
| r0 | Effective structure derived from rotational constants of zero-point vibrational level. | MW, HRMS |
Abbreviations are:
- QC -- Quantum-chemical calculations
- GED -- Gas electron diffraction
- MW -- Microwave spectroscopy
- HRMS -- High resolution molecular spectroscopy