Preferred Label : molecular entity;
IUPAC definition : Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical,
radical ion, complex, conformer etc., identifiable as a separately distinguishable
entity. Molecular entity is used in this Compendium as a general term for singular
entities, irrespective of their nature, while chemical species stands for sets or
ensembles of molecular entities. Note that the name of a compound may refer to the
respective molecular entity or to the chemical species, e.g. methane, may mean a single
molecule of CH sub 4 /sub (molecular entity) or a molar amount, specified or not
(chemical species), participating in a reaction. The degree of precision necessary
to describe a molecular entity depends on the context. For example 'hydrogen molecule'
is an adequate definition of a certain molecular entity for some purposes, whereas
for others it is necessary to distinguish the electronic state and/or vibrational
state and/or nuclear spin, etc. of the hydrogen molecule.;
Origin ID : M03986;
See also
Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical,
radical ion, complex, conformer etc., identifiable as a separately distinguishable
entity. Molecular entity is used in this Compendium as a general term for singular
entities, irrespective of their nature, while chemical species stands for sets or
ensembles of molecular entities. Note that the name of a compound may refer to the
respective molecular entity or to the chemical species, e.g. methane, may mean a single
molecule of CH sub 4 /sub (molecular entity) or a molar amount, specified or not
(chemical species), participating in a reaction. The degree of precision necessary
to describe a molecular entity depends on the context. For example 'hydrogen molecule'
is an adequate definition of a certain molecular entity for some purposes, whereas
for others it is necessary to distinguish the electronic state and/or vibrational
state and/or nuclear spin, etc. of the hydrogen molecule.