1998
DOI: 10.1002/(sici)1099-0682(199805)1998:5<537::aid-ejic537>3.0.co;2-1
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Carbonyl and Benzene Complexes of Lithium: Transition-Metal-Like Behaviour of Lithium in Organolithium Compounds
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Cited by 30 publications
(11 citation statements)
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“…The results for the lithiation possibilities of the first step are summarized in Table (see Supporting Information for structural data); the frequencies correlate well with phenyl lithium‐proton stretches . The barrier of 1a is the smallest (9.81 kJ mol −1 ) while 1c is the largest.…”
Section: Resultsmentioning
confidence: 91%
“…The results for the lithiation possibilities of the first step are summarized in Table (see Supporting Information for structural data); the frequencies correlate well with phenyl lithium‐proton stretches . The barrier of 1a is the smallest (9.81 kJ mol −1 ) while 1c is the largest.…”
Section: Resultsmentioning
confidence: 91%
“…On the other hand, Tacke has shown experimentally and theoretically that when concentrated quantities of Bz and Li in THF are used at 77 K; C–H activation occurs and Li–Ph + Li–H compounds are formed. In a related work, they also showed that the formation of R–Li···Bz adducts (R = H, CH 3 , and Ph) is possible when R–Li is used as the source for Li . This suggests that the concentration of Bz and Li, as well as the source of Li is key to obtain the structures here proposed and also confirms that Li clustering is not a major issue.…”
Section: Resultsmentioning
confidence: 99%
“…On the other hand, Tacke 23 has shown experimentally and theoretically that when concentrated quantities of Bz and Li in THF are used at 77 K; CÀH activation occurs and LiÀPh + LiÀH compounds are formed. In a related work, they also showed that the formation 24 This suggests that the concentration of Bz and Li, as well as the source of Li is key to obtain the structures here proposed and also confirms that Li clustering is not a major issue. a ZPE energy corrections were obtained from the vibrational frequencies using the respective functional.…”
Section: Resultsmentioning
confidence: 99%
“…For example, for MeLi and PhLi, the enthalpy change upon complexation with aromatic compounds is ca. 20 kcal/mol at the MP2/6-31G** level, whereas for Cr(C 6 H 6 ) 2 the Cr−benzene π-bonding energy is about 40 kcal/mol . There are many examples of the crystal structures of anionic species featuring π-interactions between sodium or potassium and aromatic rings; in contrast, only a few examples of similar lithium−arene π-complexes are known .…”
Section: Resultsmentioning
confidence: 99%
