Bond

Bond[{idi,idj},type]

represents a chemical bond between atoms with indices idi and idj of the specified type.

Details

  • Possible values for type include:
  • "Single"a single bond
    "Double"a double bond
    "Triple"a triple bond
    "Quadruple"a quadruple bond
    "Quintuple"a quintuple bond
    "ZeroOrder"a zero‐order bond
    "Aromatic"a delocalized aromatic bond
    "Dative"a dative bond
    "Hydrogen"a hydrogen bond
    "Unspecified"a bond of unspecified type
  • Chemical bonds represent the sharing or interaction of electrons between atoms and influence their valences, which are the numbers of electrons an atom can share in bonds. For example, carbon has a valence of four, meaning it typically shares four electrons in bonds.
  • "Single", "Double" and "Triple" bonds account for one, two or three electrons per atom, respectively, with "Quadruple" and "Quintuple" extending this pattern.
  • "ZeroOrder" bonds do not affect the valence of either atom, while "Aromatic" bonds involve between one and two electrons per atom depending on the context. "Dative" bonds affect only the second atom’s valence, and "Hydrogen" bonds do not affect valence at all.
  • "Unspecified" bonds allow for flexibility by skipping valence checking entirely. This type is useful for representing bonds whose electron-sharing properties are not defined or relevant in a particular context.
  • Bond can be used as a pattern for functions like MoleculeContainsQ, FindMoleculeSubstructure, BondList, MoleculePlot and MoleculePlot3D.
  • When used as a pattern, the following forms can be used:
  • Bond[_,type]any bond of the given type
    Bond[{Atom[…],_}]a bond containing an atom matching a given pattern
    Bond[{Atom[…],Atom[…]}]a bond between two atoms with specific patterns
    Bond[…,type]a bond of a given type

Examples

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Basic Examples  (2)

Build a molecule with single and double bonds:

Use BondList to retrieve the bonds from the Molecule:

Create a pattern for an oxygen‐phosphorous bond and highlight each occurrence in a molecule:

Scope  (1)

Create a pattern for a bond between carbon and a halogen:

Use BondCount to find the number of matching bonds in a molecule:

List the bonds that match:

Find the bond length for the matching bonds:

Highlight all matching bonds in 3D:

Wolfram Research (2019), Bond, Wolfram Language function, https://reference.wolfram.com/language/ref/Bond.html.

Text

Wolfram Research (2019), Bond, Wolfram Language function, https://reference.wolfram.com/language/ref/Bond.html.

CMS

Wolfram Language. 2019. "Bond." Wolfram Language & System Documentation Center. Wolfram Research. https://reference.wolfram.com/language/ref/Bond.html.

APA

Wolfram Language. (2019). Bond. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/Bond.html

BibTeX

@misc{reference.wolfram_2024_bond, author="Wolfram Research", title="{Bond}", year="2019", howpublished="\url{https://reference.wolfram.com/language/ref/Bond.html}", note=[Accessed: 20-January-2025 ]}

BibLaTeX

@online{reference.wolfram_2024_bond, organization={Wolfram Research}, title={Bond}, year={2019}, url={https://reference.wolfram.com/language/ref/Bond.html}, note=[Accessed: 20-January-2025 ]}