Hua Jin Zhai
Affiliation: Shanxi University
- Chen Q, Zhang S, Bai H, Tian W, Gao T, Li H, et al. Cage-Like B41 (+) and B42 (2+) : New Chiral Members of the Borospherene Family. Angew Chem Int Ed Engl. 2015;54:8160-4 pubmed publisher..The infrared and Raman spectra of these borospherene cations are predicted to facilitate their experimental characterizations. ..
- Wang W, Chen Q, Wang Y, Bai H, Gao T, Li H, et al. Boronyl as a terminal ligand in boron oxide clusters: hexagonal ring C(2v) B6O4 and ethylene-like D(2h) B6O4(-/2-). Phys Chem Chem Phys. 2015;17:19929-35 pubmed publisher..This work provides new examples for the analogy between boron oxides and hydrocarbons. ..
- Wang Y, You X, Chen Q, Feng L, Wang K, Ou T, et al. Chemical bonding and dynamic fluxionality of a B15(+) cluster: a nanoscale double-axle tank tread. Phys Chem Chem Phys. 2016;18:15774-82 pubmed publisher..The B15(+) cluster, roughly 0.6 nm in dimension, is the first double-axle nanoscale tank tread equipped with two engines, which expands the concepts of molecular wheels, Wankel motors, and molecular tanks. ..
- You X, Tian W, Li D, Wang Y, Li R, Feng L, et al. On the nature of chemical bonding in the all-metal aromatic [Sb3Au3Sb3](3-) sandwich complex. Phys Chem Chem Phys. 2016;18:13423-31 pubmed publisher..5-)/Au3(0) charge states, the latter being revealed from the natural bond orbital analysis. ..
- Wang K, Wang Y, Li D, Ou T, Zhao X, Zhai H. On the nature of bonding in binary Be2O2 and Si2O2 clusters: rhombic four-center four-electron ? and ? bonds. Phys Chem Chem Phys. 2016;18:9594-601 pubmed publisher..Three-fold o-bonds thus greatly stabilize the binary Be2O2 and Si2O2 clusters. We anticipate that the bonding concept should be applicable to additional molecular systems, including those with larger heterocyclic rings. ..
- Ou T, Tian W, You X, Wang Y, Wang K, Zhai H. On the structure and bonding in the B4O4(+) cluster: a boron oxide analogue of the 3,5-dehydrophenyl cation with Ï€ and Ïƒ double aromaticity. Phys Chem Chem Phys. 2015;17:29697-706 pubmed publisher..The current work presents the smallest boron oxide species with a boroxol ring, establishes an analogy between boron oxides and the 3,5-dehydrophenyl cation, and enriches the chemistry of boron oxides and boronyls. ..
- Wang Y, Zhao X, Chen Q, Zhai H, Li S. B11(-): a moving subnanoscale tank tread. Nanoscale. 2015;7:16054-60 pubmed publisher..This finding is beyond imagination, which expands the concepts of molecular wheels and Wankel motors. ..
- Ou T, Feng Y, Tian W, Zhao L, Kong X, Xu H, et al. A photoelectron spectroscopy and quantum chemical study on ternary Al-B-O clusters: AlnBO2- and AlnBO2 (n = 2, 3). Phys Chem Chem Phys. 2018;20:5200-5209 pubmed publisher..The former route wins thermodynamically, leading to the observed geometries. ..
- You X, Feng L, Li R, Zhai H. Chemical Bonding and Ïƒ-Aromaticity in Charged Molecular Alloys: [Pd2As14]4- and [Au2Sb14]4- Clusters. Sci Rep. 2017;7:791 pubmed publisher..Thus, 1 and 2 conform to the (4nâ€‰+â€‰2) HÃ¼ckel rule, for nâ€‰=â€‰0 and 1, respectively, rendering them Ïƒ-aromaticity. ..
- Wang Y, Guo J, Zhai H. Why nanoscale tank treads move? Structures, chemical bonding, and molecular dynamics of a doped boron cluster B10C. Nanoscale. 2017;9:9310-9316 pubmed publisher..It also helps rationalize why a strongly covalently bound system can behave dynamically in a manner similar to a weakly bound one; it is the latter that is generally anticipated to be structurally fluxional. ..
- Feng L, Zhai H. Wheel-like, elongated, circular, and linear geometries in boron-based CnB7-n (n = 0-7) clusters: structural transitions and aromaticity. Phys Chem Chem Phys. 2017;19:24284-24293 pubmed publisher..A similar argument should be valid for other B-C clusters in prior reports, such as B6C2-, B7C-, and B8C. ..