Bond

Bond[{idi,idj}]

represents a single chemical bond between atoms with indices idi and idj.

Bond[{idi,idj},type]

represents a chemical bond of the specified type.

Details

  • Possible values for type include:
  • "Single"a single bond
    "Double"a double bond
    "Triple"a triple bond
    "Aromatic"a delocalized aromatic bond
  • 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  (3)

Build a molecule with single and double bonds:

Leave out the bond order when creating a molecule to assume single 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: 21-November-2024 ]}

BibLaTeX

@online{reference.wolfram_2024_bond, organization={Wolfram Research}, title={Bond}, year={2019}, url={https://reference.wolfram.com/language/ref/Bond.html}, note=[Accessed: 21-November-2024 ]}