REC/2020/09
2020-06-24T12:00:00Z
2020-06-30T12:00:00Z
AFT Molecular Scale - Perspective (REC/2020/09)
Perspective taxonomy of materal entities of molecular granularity or smaller, as discussed in chemistry, mostly a subset of ChEBI
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
An ion is an atomic or molecular particle having a net electric charge. [IUPAC]
ion
negative ion
An anion (-) is an ion with more electrons than protons, giving it a net negative charge (since electrons are negatively charged and protons are positively charged). [Wikipedia]
anion
positive ion
A cation (+) is an ion with fewer electrons than protons, giving it a positive charge. [Wikipedia]
cation
true
PAC, 1982, 54, 1533 (Glossary of terms used in nuclear analytical chemistry (Provisional))
The positively charged central portion of an atom, excluding the orbital electrons. [IUPAC]
nucleus
Green Book, 2nd ed., p. 93
e−
β−
Elementary particle not affected by the strong force having a spin quantum number 1/2, a negative elementary charge and a rest mass of 0.000 548 579 903(13) u. [IUPAC]
electron
Green Book, 2nd ed.: IUPAC Quantities, Units and Symbols in Physical Chemistry. Second Edition, Blackwell Scientific Publications, Oxford, 1993.
hydrogen nucleus
A proton is a nuclear particle of charge number +1, spin quantum number of 1/2 and rest mass of 1.00727647012 u. [IUPAC]
proton
IUPAC Green Book, 2nd ed., p. 93
A neutron is a nuclear particle of zero charge, spin quantum number 1/2 and a mass of 1.00866490414 u. [IUPAC]
neutron
IUPAC Red Book, p. 35
An atom is a smallest particle still characterizing a chemical element. It consists of a nucleus of a positive charge carrying almost all its mass (more than 99.9%) and Z electrons determining its size. [IUPAC]
atom
molecular quality
A molecular quality is a chemical quality which inheres in a molecular entity, a single molecule, atom, ion, radical etc. [Allotrope].
molecular entity quality
atomic mass
Molecular mass is a molecular quality inhered in a molecular entity that expresses its mass relative to 1/12 of the mass of an unbound neutral atom of carbon-12 in its nuclear and electronic ground state and at rest. [Allotrope]
molecular mass
m/z
m/z (molecular quality)
m/z ratio
mass-to-charge ratio
Mass-to-charge ratio is a molecular quality that expresses the ratio of the molecular mass to the charge number of a molecular entity. [Allotrope]
mass-to-charge ratio (molecular quality)
This quality is itself a ratio of relative qualities, the molecular mass is relative to the unified atomic mass unit and the electric charge to the elementary charge. [Allotrope]
molecular formula
A molecular formula is a molecular quality that inhers in a molecular entity by the relative amount of component atoms. [Allotrope]
molecular formula (molecular quality)
IUPAC. Analytical Division. Compendium of Analytical Nomenclature (the Orange Book). Definitive Rules, 1979. Compiled by J. Inczédy, T. Lengyel, A. M. Ure. Blackwell Scientific Publications, Oxford (1997).
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the Gold Book). Compiled by A. D. McNaught and A.Wilkinson. Blackwell Scientific Publications, Oxford (1997).
K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609
Electron energy is the translational energy that electrons acquire when accelerated in an electric field. [IUPAC]
electron energy
isotopic distribution
Isotopic distribution is a molecular quality inhered in a molecule by the distribution of different isotopes in the molecule. [Allotrope]
isotopic distribution (molecular quality)
true
ion attribute
ion property
2020-05-11 Changed definition and moved under molecular entity facet. [Allotrope]
An ion facet is a molecular facet that is about some ion. [Allotrope]
ion facet
Charge state is a facet that is about the electrical charge of an ion. It is single or multiple and positive or negatively charged. [Allotrope]
charge state
chemical descriptor
molecular descriptor
molecular facet
2020-05-11 Changed definition and moved to AFO. [Allotrope]
A molecular entity facet is a facet that is about some molecular entity such as atoms, ions or molecules. [Allotrope]
molecular entity facet
chemical formula
A molecular formula is a molecular entity facet which identifies each constituent element by its chemical symbol and indicates the number of atoms of each element found in each discrete molecular entity of that compound. [CHEMINF]
molecular formula
water
An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms. [CHEBI]
water (molecule)
An elemental molecule consisting of two bivalently-bonded oxygen atoms. [Allotrope]
dioxygen (molecule)
An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. [CHEBI]
ammonia (molecule)
A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. [CHEBI]
methane (molecule)
A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. [CHEBI]
carbon dioxide (molecule)
nitrate
A nitrogen oxoanion formed by loss of a proton from nitric acid. [CHEBI]
nitrate ion
An elemental molecule consisting of two trivalently-bonded nitrogen atoms. [CHEBI]
dinitrogen (molecule)
An elemental molecule consisting of two hydrogens joined by a single bond. [CHEBI]
dihydrogen (molecule)
PAC, 1994, 66, 1077. (Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)) on page 1142
Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. [IUPAC]
molecular entity
PAC, 1994, 66, 1077. (Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)) on page 1143
A molecule is a polyatomic molecular entity that is an electrically neutral entity consisting of more than one atom. [Allotrope]
molecule
Green Book, 2nd ed., p. 93
PAC, 1996, 68, 2223. 'Glossary of terms used in photochemistry (IUPAC Recommendations 1996)' on page 2262
A photon is a particle of zero charge, zero rest mass, spin quantum number 1, energy hν and momentum hν/c (h is the Planck constant, ν the frequency of radiation and c the speed of light), carrier of electromagnetic force. [IUPAC]
photon
A nucleon is either a proton or a neutron. [Wikipedia]
nucleon
An atom of the chemical element Helium. [Allotrope]
helium (atom)
Lepton is a fermion that does not experience the strong force (strong interaction). [CHEBI]
lepton
Baryon is a fermion that does experience the strong force (strong interaction). [CHEBI]
baryon
Particle of half-integer spin quantum number following Fermi-Dirac statistics. [CHEBI]
fermion
A boson is a particle that follows Bose–Einstein statistics. [Wikipedia]
boson
A subatomic particle is a material that is below the scale of an atom. [Allotrope]
subatomic particle
true
A nuclear particle is a nucleus or any of its constituents in any of their energy states. [CHEBI]
nuclear particle
silver(1+)
An silver(1+) ion is a +1 charged silver cation. [Allotrope]
silver(1+) ion
Affinity is a molecular quality that arises from the molecular attraction exerted between two atoms or compounds. [PATO]
affinity
polarity
Polarity is a molecular quality that inheres in a molecular entity by virtue of whether or not the molecular entity has a separation of electric charge which leads to the molecule having an electric dipole. [PATO]
polarity (molecular quality)
charge
electric charge
Electric charge is a molecular quality that inheres in a molecular entity by virtue of the overall electric charge of the molecule, which is due to a comparison between the total number of electrons and the total number of protons. [PATO]
electric charge (molecular quality)
neutral
Neutral charge is a quality which inheres in a molecular entity by virtue of the molecular entity possessing the same amount of electrons overall as protons, thus having an overall neutral charge. [PATO]
neutral charge
positive
Positive charge is a quality which inheres in a molecular entity by virtue of the molecular entity possessing more protons overall than electrons, thus having an overall positive charge. [PATO]
positive charge
negative
Negative charge is a quality which inheres in a molecular entity by virtue of the molecular entity possessing more electrons overall than protons, thus having an overall negative charge. [PATO]
negative charge
These taxonomies contain material or may constitute derivative works of material which may be subject to copyright by one of the following organizations. By using these taxonomies, you agree to the following terms and conditions applicable to its contents:
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