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Bond graphs are multi-energy domain (e.g. mechanical, electrical, hydraulic, etc.) and domain neutral. This means a bond graph can incorporate multiple domains seamlessly. The bond graph is composed of the "bonds" which link together "single-port", "double-port" and "multi-port" elements (see below for details).
In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds.
A structural formula is a simplified model that cannot represent certain aspects of chemical structures. For example, formalized bonding may not be applicable to dynamic systems such as delocalized bonds. Aromaticity is such a case and relies on convention to represent the bonding. Different styles of structural formulas may represent ...
Another shorthand structural diagram is the skeletal formula (also known as a bond-line formula or carbon skeleton diagram). In a skeletal formula, carbon atoms are not signified by the symbol C but by the vertices of the lines. Hydrogen atoms bonded to carbon are not shown—they can be inferred by counting the number of bonds to a particular ...
In a tetrahedral molecular geometry, a central atom is located at the center with four substituents that are located at the corners of a tetrahedron.The bond angles are arccos(− 1 / 3 ) = 109.4712206...° ≈ 109.5° when all four substituents are the same, as in methane (CH 4) [1] [2] as well as its heavier analogues.
In the following example, the Lewis acidity of AH 3 molecules such as BH 3 and CH 3 + is predicted. Six electron AH 3 molecules should have a planar conformation. It can be seen that the HOMO, 1e’, of planar AH 3 is destabilized upon bending of the A-H bonds to form a pyramid shape, due to disruption of bonding.
For example, a bond between two s-orbital electrons is a sigma bond, because two spheres are always coaxial. In terms of bond order, single bonds have one sigma bond, double bonds consist of one sigma bond and one pi bond, and triple bonds contain one sigma bond and two pi bonds. However, the atomic orbitals for bonding may be hybrids.
Molecular geometries can be specified in terms of 'bond lengths', 'bond angles' and 'torsional angles'. The bond length is defined to be the average distance between the nuclei of two atoms bonded together in any given molecule. A bond angle is the angle formed between three atoms across at least two bonds.