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- W2741461036 startingPage "6491" @default.
- W2741461036 abstract "Although Ng–M (M = Cu, Ag, Au; Ng = noble gas) and Ng–C bonds are known to exist in different viable species, we report here a series of systems with formula MNgCCH (Ng = Xe, Rn) in which both bonds coexist. These compounds possess reasonably high kinetic stability (free energy barrier, ΔG‡ of 14.0–34.8 kcal/mol) along an exergonic isomerization channel, MNgCCH → NgMCCH. For a given M, the ΔG‡ associated with this channel increases from Xe to Rn, whereas for a given Ng, it increases along Ag < Cu < Au. No other possible dissociation channel is feasible at standard condition, except for the Ag–Xe analogue, where one three-body neutral dissociation channel, AgXeCCH → Ag + Xe + CCH, is slightly exergonic by 2.4 kcal/mol. Examination of the thermochemical stability of the Ng–M bonds in noninserted compounds against the dissociation, NgMCCH → Ng + MCCH reveals that Kr–Rn bound Cu and Au analogues, and Xe and Rn bound Ag analogues would be viable at 298 K. The natural bond order analysis indicates the formation of M–Ng covalent bond and Ng–C ionic bonds in these compounds having an ionic representation of (MNg)+(CCH)−. Energy decomposition analysis reveals a significant contribution of the electrostatic term in the M–Ng covalent bonds." @default.
- W2741461036 created "2017-08-08" @default.
- W2741461036 creator A5035678236 @default.
- W2741461036 creator A5061697577 @default.
- W2741461036 creator A5069414175 @default.
- W2741461036 creator A5075213655 @default.
- W2741461036 date "2017-08-16" @default.
- W2741461036 modified "2023-10-17" @default.
- W2741461036 title "MNgCCH (M = Cu, Ag, Au; Ng = Xe, Rn): The First Set of Compounds with M–Ng–C Bonding Motif" @default.
- W2741461036 cites W1485224901 @default.
- W2741461036 cites W1498811999 @default.
- W2741461036 cites W1524525881 @default.
- W2741461036 cites W1530183300 @default.
- W2741461036 cites W1911575506 @default.
- W2741461036 cites W1965332069 @default.
- W2741461036 cites W1968023673 @default.
- W2741461036 cites W1968438687 @default.
- W2741461036 cites W1969625111 @default.
- W2741461036 cites W1971063822 @default.
- W2741461036 cites W1971671866 @default.
- W2741461036 cites W1973785539 @default.
- W2741461036 cites W1977646470 @default.
- W2741461036 cites W1978901809 @default.
- W2741461036 cites W1979800142 @default.
- W2741461036 cites W1980268937 @default.
- W2741461036 cites W1981368803 @default.
- W2741461036 cites W1982464865 @default.
- W2741461036 cites W1984059973 @default.
- W2741461036 cites W1984611403 @default.
- W2741461036 cites W1985264891 @default.
- W2741461036 cites W1986577854 @default.
- W2741461036 cites W1987186654 @default.
- W2741461036 cites W1987913796 @default.
- W2741461036 cites W1989224265 @default.
- W2741461036 cites W1991016308 @default.
- W2741461036 cites W1993092409 @default.
- W2741461036 cites W2002028752 @default.
- W2741461036 cites W2008708918 @default.
- W2741461036 cites W2010891163 @default.
- W2741461036 cites W2012720925 @default.
- W2741461036 cites W2015121006 @default.
- W2741461036 cites W2019225729 @default.
- W2741461036 cites W2019329086 @default.
- W2741461036 cites W2019885197 @default.
- W2741461036 cites W2021329301 @default.
- W2741461036 cites W2022581844 @default.
- W2741461036 cites W2023722285 @default.
- W2741461036 cites W2025183577 @default.
- W2741461036 cites W2026508358 @default.
- W2741461036 cites W2026850550 @default.
- W2741461036 cites W2028781077 @default.
- W2741461036 cites W2030761307 @default.
- W2741461036 cites W2031267750 @default.
- W2741461036 cites W2031856796 @default.
- W2741461036 cites W2032554135 @default.
- W2741461036 cites W2033428136 @default.
- W2741461036 cites W2035370712 @default.
- W2741461036 cites W2036503595 @default.
- W2741461036 cites W2036629733 @default.
- W2741461036 cites W2037769993 @default.
- W2741461036 cites W2042944554 @default.
- W2741461036 cites W2044940178 @default.
- W2741461036 cites W2044967573 @default.
- W2741461036 cites W2047981930 @default.
- W2741461036 cites W2049410424 @default.
- W2741461036 cites W2050076732 @default.
- W2741461036 cites W2057002803 @default.
- W2741461036 cites W2057240944 @default.
- W2741461036 cites W2058760992 @default.
- W2741461036 cites W2060395367 @default.
- W2741461036 cites W2064066275 @default.
- W2741461036 cites W2066975750 @default.
- W2741461036 cites W2069006374 @default.
- W2741461036 cites W2069068272 @default.
- W2741461036 cites W2071631490 @default.
- W2741461036 cites W2073280539 @default.
- W2741461036 cites W2076622383 @default.
- W2741461036 cites W2076939573 @default.
- W2741461036 cites W2077570176 @default.
- W2741461036 cites W2079424193 @default.
- W2741461036 cites W2079835704 @default.
- W2741461036 cites W2081597435 @default.
- W2741461036 cites W2084245137 @default.
- W2741461036 cites W2085966856 @default.
- W2741461036 cites W2088296771 @default.
- W2741461036 cites W2089600634 @default.
- W2741461036 cites W2092157292 @default.
- W2741461036 cites W2093914988 @default.
- W2741461036 cites W2094199747 @default.
- W2741461036 cites W2101628250 @default.
- W2741461036 cites W2102833015 @default.
- W2741461036 cites W2103191961 @default.
- W2741461036 cites W2109314832 @default.
- W2741461036 cites W2109698386 @default.
- W2741461036 cites W2111592470 @default.
- W2741461036 cites W2112423002 @default.
- W2741461036 cites W2114613716 @default.
- W2741461036 cites W2117813821 @default.