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Semi-rigid molecule
A semi-rigid molecule is a molecule which has a potential energy surface with a well-defined minimum corresponding to a stable structure of the molecule. The only (quantum mechanical) motions that a semi-rigid molecule makes are (small) internal vibrations around its equilibrium geometry and overall translations and rotations.
==Potential energy surface==
A molecule consists of atoms held together by chemical bonding forces.
The potential, derived from these forces, is a function of the Cartesian nuclear coordinates R1, ..., RN. These coordinates are expressed with respect to a frame attached to the molecule. The potential function is known as force field or potential energy surface written as ''V(''R1, ..., RN'')''.
Often a more accurate representation of the potential ''V'' is obtained by the use of internal curvilinear coordinates, so-called valence coordinates. We mention bond stretch, valence angle bending, out-of-plane-rotation angles, and dihedral (torsion) angles. Although the curvilinear internal coordinates can give a good description of the molecular potential, it is difficult to express the kinetic energy of nuclear vibrations in these coordinates.
抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』
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