2016
DOI: 10.1007/s00214-016-1821-0
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A topological analysis of the bonding in [M2(CO)10] and [M3(μ-H)3(CO)12] complexes (M = Mn, Tc, Re)

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Cited by 29 publications
(8 citation statements)
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“…It is considerably smaller than those in isolated I 4 Tt ( Figure 2 , Top), thus consistent with the weakening of the Tt–I bond in I 4 Tt (Tt = Si, Ge, Sn, Pb) upon its attractive engagement with the halide anions. For comparison, we note that the δ values for Tt–I and Tt···X coordinate and dative tetrel bonds in [I 4 Tt···X − ] are smaller than, and comparable to, those reported for metal–C(O) coordinate bonds (δ values ranged from 0.279 to 1.195); however, those of Tt···X ordinary tetrel bonds are comparable with what were reported for metal···metal (metal···H or H···H) interactions (δ values between 0.005 and 0.166) in [M 2 (CO) 10 ] and [M 3 (μ-H) 3 (CO) 12 ] (M = Mn, Tc, Re) complexes [ 103 ].…”
Section: Resultssupporting
confidence: 77%
“…It is considerably smaller than those in isolated I 4 Tt ( Figure 2 , Top), thus consistent with the weakening of the Tt–I bond in I 4 Tt (Tt = Si, Ge, Sn, Pb) upon its attractive engagement with the halide anions. For comparison, we note that the δ values for Tt–I and Tt···X coordinate and dative tetrel bonds in [I 4 Tt···X − ] are smaller than, and comparable to, those reported for metal–C(O) coordinate bonds (δ values ranged from 0.279 to 1.195); however, those of Tt···X ordinary tetrel bonds are comparable with what were reported for metal···metal (metal···H or H···H) interactions (δ values between 0.005 and 0.166) in [M 2 (CO) 10 ] and [M 3 (μ-H) 3 (CO) 12 ] (M = Mn, Tc, Re) complexes [ 103 ].…”
Section: Resultssupporting
confidence: 77%
“…A summary of the results obtained from a QTAIM analysis of complexes 7-Me , 7- n Pr , and 8 can be found in Table . The Laplacians of the electron density are positive, but close to zero and in the range of mainly ionic bonds for all three complexes (0.07 for 7-Me , 0.05 for 7- n Pr , and 0.04 for 8 ). The electronic energy density H ( r ) was found to be −0.012 for 7-Me and 7- n Pr and −0.009 for 8 , suggesting a small amount of covalent bonding. These values indicating an ambiguity between ionic and covalent bonding are very typical for metal–metal bonds and have recently been shown to be possibly best described as charge-shift bonds .…”
Section: Resultsmentioning
confidence: 89%
“…Similarly, a recent VB study of Radenković et al showed that the Au–Au bond in Au 2 is a CSB . Furthermore, several interesting topological features of the M–M bond emerging from both experimental and theoretical charge density analyses, constitute markers of CSB character in this class of complexes. All these observations, taken together, warrant a systematic investigation on the nature of the M–M bond in transition metal complexes starting with the d-block elements and going all the way to the two s-elements in the same Period.…”
Section: Introductionmentioning
confidence: 78%