ChemPuter

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Sheffield ChemPuter

pseudo-elements

The Chemputer recognizes formulae such as C4H8Br2 containing only the elements. Some fragments or compounds such as methyl are so common and important that they are given their own special symbols. So, methyl is Me. I call these special groups pseudo-elements.

This is the current list of pseudo-elements permitted when entering chemical formulae. Note that in every case, the first letter is a capital letter and all the remaining ones are lowercase. In the chemical literature, some of these abbreviations, such as COT or THF are all in capitals. In the Chemputer you must use Cot and Thf instead.

Acac       C5H7O
Aq         OH2
Bu         C4H9
Bz         C9H11
Cbd        C4H4
Cht        C8H10
Cod        C8H12
Cot        C8H8
Cp         (η5-C5H5)
Cp'        (η5-C5H4Me)
Cp*        (η5-C5Me5)
Cy         C6H11
Dec        C10H21
Dien       NH2CH2CH2NH2
Diphos     P(CH2)2PPh2
Dmpe       Me2PCH2CH2PMe2
Dmpm       Me2PCH2PMe2
Dmso       Me2SO
Dppe       Ph2P(CH2)2PPh2
Dppp       Ph2P(CH2)3PPh2
Dppm       Ph2PCH2PPh2
En         NH2CH2CH2NH2
Et         C2H5
Fc         (-C5H4)FeCp
Fp         Fe(CO)2Cp
Hpt        C7H15
Hx         C6H13
Me         CH3
Mes        C6H2Me3
Mp         Mo(CO)2Cp
Nap        C10H8
Nbd        C7H7
Non        C9H19
Oct        C8H15
Ph         C6H5
Pn         C5H11
Ppn        N(PPh3)2
Pro        C3H7  (Pr is the symbol for  praseodymium!)
Rp         Ru(CO)2Cp
Tcne       C2(CN)4
Tf         OSO2CF3
Thf        C4H8O
Tht        C4H8S
Tms        SiMe3
Tol        C6H4Me
Vi         C2H3
Wp         W(CO)2Cp
Xy         C6H3Me2

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Copyright 1993-2001Mark Winter [University of Sheffield, England]

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