Appendix F. Table of probe names

Table of probe symbols which may be used in order to define the properties of single-atom probes.

 PROBE     BRIEF DESCRIPTION           PROBE     BRIEF DESCRIPTION
  NAME                                  NAME

  C3    Methyl CH3 group                C1=   sp2 CH aromatic or vinyl

  N:#   sp N with lone pair             N:=   sp2 N with lone pair
  N:    sp3 N with lone pair            N-:   Anionic tetrazole N 

  N1    Neutral flat NH eg amide        N1+   sp3 amine NH cation 
  N1=   sp2 Amine NH cation             N1:   sp3 NH with lone pair 
  NH=   sp2 NH with lone pair           N1#   sp NH with one hydrogen 

  N2    Neutral flat NH2 eg amide       N2+   sp3 amine NH2 cation
  N2=   sp2 Amine NH2 cation            N2:   sp3 NH2 with lone pair

  N3+   sp3 amine NH3 cation            NM3   trimethyl-ammonium
 cation 

  O1    Alkyl hydroxy OH group          OH    Phenol or carboxy OH
  O-    sp2 phenolate oxygen            O     sp2 carbonyl oxygen 
  O::   sp2 carboxy oxygen atom         COO-  Multi-atom carboxy
  OES   sp3 ester oxygen atom           OC2   Ether or furan oxygen 
  OS    O of sulphone / sulphoxide      ON    Oxygen of nitro group 
  O=    O of sulphate/sulphonamide      OH2   Water 

  PO4   PO4 phosphate dianion           PO4H  PO4H phosphate anion

  S1    Neutral SH group

  F     Organic fluorine atom           F-    Fluoride anion
  CL    Organic chlorine atom           CL-   Chloride anion
  BR    Organic bromine atom            BR-   Bromide anion 
  I     Organic iodine atom             I-    Iodide anion

  LI+   Lithium cation                  NA+   Sodium cation 
  K+    Potassium cation                RB+   Rubidium cation 
  CS+   Caesium cation                  MG+2  Magnesium cation
  CA+2  Calcium cation                  SR+2  Strontium cation
  ZN+2  Zinc cation                     CU+2  Cupric copper cation
  FE+2  Ferrous iron cation             FE+3  Ferric iron cation

  BOTH  The Amphipatic Probe            DRY   The Hydrophobic Probe 

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