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- W2013428021 endingPage "1092" @default.
- W2013428021 startingPage "1092" @default.
- W2013428021 abstract "The 14-π cross-linked annulene dicyclopenta[a,e]pentalene (dcpp) is suggested for the first time to function as a sandwich ligand. According to density functional theory (DFT) calculations, upon being sandwiched between two dcpp ligands, the tetravanadium chain, without the support of auxiliary ligands, has two unpaired electrons and has a tendency for deformation to gain extra stability through multicenter bondings in the ground state. The one-electron ligand chlorine can lead to two types of structures, one with two chlorine atoms connecting to the two central vanadium atoms and the other one with two chlorine atoms connecting to the two terminal vanadium atoms, both of which are energetically more favorable in the triplet state. In the carbonyl end-capping complex, the tetravanadium is stable as a linear metal–metal bonded array with alternating single and double bonds and all electrons paired for bonding, although a triplet state conformer exists with two extra carbonyl ligands bound to the two central vanadium atoms which is more energy favorable by 15.1 kcal mol−1. Bonding features within the tetravanadium moiety were obtained based on electron density analyses. We hope these discussions are helpful for the design of new extended metal atom chain (EMAC) systems and for the pursuit of effective catalysts based on the dcpp sandwich complexes." @default.
- W2013428021 created "2016-06-24" @default.
- W2013428021 creator A5009224021 @default.
- W2013428021 creator A5013189975 @default.
- W2013428021 creator A5025250287 @default.
- W2013428021 creator A5076665413 @default.
- W2013428021 date "2014-01-01" @default.
- W2013428021 modified "2023-09-23" @default.
- W2013428021 title "Can a linear metal–metal bonded array of tetravanadium be stabilized between two dicyclopenta[a,e]pentalene ligands? A theoretical investigation" @default.
- W2013428021 cites W1636722535 @default.
- W2013428021 cites W1838987788 @default.
- W2013428021 cites W1964921738 @default.
- W2013428021 cites W1966726378 @default.
- W2013428021 cites W1969640788 @default.
- W2013428021 cites W1970679105 @default.
- W2013428021 cites W1975353343 @default.
- W2013428021 cites W1976287146 @default.
- W2013428021 cites W1982079850 @default.
- W2013428021 cites W1985691424 @default.
- W2013428021 cites W1986311108 @default.
- W2013428021 cites W1988359950 @default.
- W2013428021 cites W1993550046 @default.
- W2013428021 cites W1994118240 @default.
- W2013428021 cites W1996228864 @default.
- W2013428021 cites W1996990137 @default.
- W2013428021 cites W2000944819 @default.
- W2013428021 cites W2002526326 @default.
- W2013428021 cites W2003409499 @default.
- W2013428021 cites W2004006468 @default.
- W2013428021 cites W2009672426 @default.
- W2013428021 cites W2011625464 @default.
- W2013428021 cites W2014947979 @default.
- W2013428021 cites W2020514695 @default.
- W2013428021 cites W2027245064 @default.
- W2013428021 cites W2028545224 @default.
- W2013428021 cites W2029037543 @default.
- W2013428021 cites W2029272084 @default.
- W2013428021 cites W2030687437 @default.
- W2013428021 cites W2032432681 @default.
- W2013428021 cites W2033481638 @default.
- W2013428021 cites W2034445098 @default.
- W2013428021 cites W2035655458 @default.
- W2013428021 cites W2038533471 @default.
- W2013428021 cites W2042628860 @default.
- W2013428021 cites W2044600731 @default.
- W2013428021 cites W2045236580 @default.
- W2013428021 cites W2046806270 @default.
- W2013428021 cites W2048559163 @default.
- W2013428021 cites W2054474497 @default.
- W2013428021 cites W2054817293 @default.
- W2013428021 cites W2055230539 @default.
- W2013428021 cites W2055730320 @default.
- W2013428021 cites W2057704666 @default.
- W2013428021 cites W2059613803 @default.
- W2013428021 cites W2060175207 @default.
- W2013428021 cites W2061946443 @default.
- W2013428021 cites W2069412713 @default.
- W2013428021 cites W2070916124 @default.
- W2013428021 cites W2076288842 @default.
- W2013428021 cites W2077559337 @default.
- W2013428021 cites W2081504104 @default.
- W2013428021 cites W2084170492 @default.
- W2013428021 cites W2085230192 @default.
- W2013428021 cites W2086497411 @default.
- W2013428021 cites W2086957099 @default.
- W2013428021 cites W2092507141 @default.
- W2013428021 cites W2094640362 @default.
- W2013428021 cites W2095374362 @default.
- W2013428021 cites W2099814109 @default.
- W2013428021 cites W2108446403 @default.
- W2013428021 cites W2110406282 @default.
- W2013428021 cites W2117011111 @default.
- W2013428021 cites W2120030249 @default.
- W2013428021 cites W2120134777 @default.
- W2013428021 cites W2123442243 @default.
- W2013428021 cites W2125790166 @default.
- W2013428021 cites W2130716278 @default.
- W2013428021 cites W2131628887 @default.
- W2013428021 cites W2131900007 @default.
- W2013428021 cites W2133223937 @default.
- W2013428021 cites W2136169262 @default.
- W2013428021 cites W2150345533 @default.
- W2013428021 cites W2161083964 @default.
- W2013428021 cites W2163052562 @default.
- W2013428021 cites W2163844500 @default.
- W2013428021 cites W2165099786 @default.
- W2013428021 cites W2165333341 @default.
- W2013428021 cites W2166198169 @default.
- W2013428021 cites W2171963056 @default.
- W2013428021 cites W2315260518 @default.
- W2013428021 cites W2318267610 @default.
- W2013428021 cites W2318429428 @default.
- W2013428021 cites W2325910241 @default.
- W2013428021 cites W2329118757 @default.
- W2013428021 cites W2330025906 @default.
- W2013428021 cites W2331968475 @default.
- W2013428021 cites W4235362838 @default.
- W2013428021 cites W4253464282 @default.