Spodium bonds and metal–halogen···halogen–metal interactions in propagation of monomeric units to dimeric or polymeric architectures

Alizadeh, Vali; Mahmoudi, Ghodrat; Vinokurova, Marina A.; Pokazeev, Kuzma M.; Alekseeva, Kseniia A.; Mirosław, Barbara; Khandar, Ali Akbar; Frontera, Antonio; Safin, Damir A.

doi:10.1016/j.molstruc.2021.132144

Cited by 13 publications

(5 citation statements)

References 128 publications

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“…. .Hal-M have rarely been noted by researchers [37]. Therefore, one of the goals of this work was to statistically analyze the M1-Hal1.…”

Section: The M-hal Hal-m Distancesmentioning

confidence: 99%

Comparison of Intermolecular Halogen...Halogen Distances in Organic and Organometallic Crystals

Grineva

2023

IJMS

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Statistical analysis of halogen...halogen intermolecular distances was performed for three sets of homomolecular crystals under normal conditions: C–Hal1...Hal2–C distances in crystals consisting of: (i) organic compounds (set Org); (ii) organometallic compounds (set Orgmet); and (iii) distances M1–Hal1...Hal2–M2 (set MHal) (in all cases Hal1 = Hal2, and in MHal M1 = M2, M is any metal). When analyzing C–Hal...Hal–C distances, a new method for estimating the values of van der Waals radii is proposed, based on the use of two subsets of distances: (i) the shortest distances from each substance less than a threshold; and (ii) all C–Hal...Hal–C distances less than the same threshold. As initial approximations for these thresholds for different Hal, the Ragg values previously introduced in investigations with the participation of the author were used (Ragg values make it possible to perform a statistical assessment of the presence of halogen aggregates in crystals). The following values are recommended in this work to be used as universal values for crystals of organic and organometallic compounds: RF = 1.57, RCl = 1.90, RBr = 1.99, and RI = 2.15 Å. They are in excellent agreement with the results of some other works but significantly (by 0.10–0.17 Å) greater than the commonly used values. For the Orgmet set, slightly lower values for RI (2.11–2.09 Å) were obtained, but number of the C–I...I–C distances available for analysis was significantly smaller than in the other subgroups, which may be the reason for the discrepancy with value for the Org set (2.15 Å). Statistical analysis of the M–Hal...Hal–M distances was performed for the first time. A Hal-aggregation coefficient for M–Hal bonds is proposed, which allows one to estimate the propensity of M–Hal groups with certain M and Hal to participate in Hal-aggregates formed by M–Hal...Hal–M contacts. In particular, it was found that, for the Hg–Hal groups (Hal = Cl, Br, I), there is a high probability that the crystals have Hg–Hal...Hal–Hg distances with length ≤ Ragg.

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“…. .Hal-M have rarely been noted by researchers [37]. Therefore, one of the goals of this work was to statistically analyze the M1-Hal1.…”

Section: The M-hal Hal-m Distancesmentioning

confidence: 99%

Comparison of Intermolecular Halogen...Halogen Distances in Organic and Organometallic Crystals

Grineva

2023

IJMS

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“…A few recent studies on the X-ray crystal structure analysis of metal complexes of Zn, Cd, and Hg and theoretical understanding of small model molecules evidence the existence and importance of Sp-bonds in crystal engineering. 164–172 This paves the way for expanding their chemistry further in biomolecules. The abundance of zinc in biological systems indicates the possibility of the presence of Sp-bonds in biomolecules.…”

Section: Recent Discoveriesmentioning

confidence: 99%

Noncovalent interactions in proteins and nucleic acids: beyond hydrogen bonding and π-stacking

et al. 2022

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“…Interestingly, complexes 1 and 2 incorporate co-crystallized solvent molecules (DMSO) that interact with the complexes by means of the electron rich oxygen-atom establishing concurrent H-bonds and spodium bonds (SpBs). The latter interactions have attracted the attention of the scientific community 41,[46][47][48][49][50][51][52][53][54] along with other non-covalent interactions involving metals, like coinage bonds 55 for group 11, osme bonds 56 for group 8, matere bonds 57 for group 7 and wolfium bonds 58 for group 6. These types of s-hole non-covalent interactions involving metal centers have been studied in detail [46][47][48][49][50][51][52][53][54][55][56][57][58] and it has been demonstrated that their physical nature is different compared to conventional coordination bonds (strong covalent character).…”

Section: Introductionmentioning

confidence: 99%

“…The latter interactions have attracted the attention of the scientific community 41,[46][47][48][49][50][51][52][53][54] along with other non-covalent interactions involving metals, like coinage bonds 55 for group 11, osme bonds 56 for group 8, matere bonds 57 for group 7 and wolfium bonds 58 for group 6. These types of s-hole non-covalent interactions involving metal centers have been studied in detail [46][47][48][49][50][51][52][53][54][55][56][57][58] and it has been demonstrated that their physical nature is different compared to conventional coordination bonds (strong covalent character). In the present case, we have synthesized four zinc complexes to study spodium bonds, if any, in their solid state structures.…”

Section: Introductionmentioning

confidence: 99%

The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands

et al. 2023

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Spodium bonds and metal–halogen···halogen–metal interactions in propagation of monomeric units to dimeric or polymeric architectures

Cited by 13 publications

References 128 publications

Comparison of Intermolecular Halogen...Halogen Distances in Organic and Organometallic Crystals

Comparison of Intermolecular Halogen...Halogen Distances in Organic and Organometallic Crystals

Noncovalent interactions in proteins and nucleic acids: beyond hydrogen bonding and π-stacking

The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands

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