Skip to main content

View full-text article in PMC

. 2016 Nov 1;1(5):765–772. doi: 10.1021/acsomega.6b00249

Table 3. Gas-Phase CCSD(T)/aug-cc-pVTZ Reaction Energies (kcal/mol) for Neon.

reaction	energy
C₂H⁺ + Ne → NeCCH⁺	–21.8
^•HC₂H⁺ + Ne → NeCCH⁺ +^•H	152.4
^•HC₄H⁺ + Ne → NeCCH⁺ + ^•C₂H	214.4
C₃H⁺ + Ne → NeCCH⁺ + C	232.6
^•C₂H + ^•Ne⁺ → NeCCH⁺	266.2
HC₂H + ^•Ne⁺ → NeCCH⁺ + ^•H	413.5
HC₄H + ^•Ne⁺ → NeCCH⁺ + ^•C₂H	448.0
HC₃N + ^•Ne⁺ → NeCCH⁺ + ^•CN	428.5
HC₂NC + ^•Ne⁺ → NeCCH⁺ + ^•CN	401.4
^•HC₄H⁺ + ^•Ne⁺ → NeCCH⁺ + C₂H⁺	502.4