Protonating Metal-Metal Bonds: Changing the Metal-Metal Interaction from Bonding, to Nonbonding, and to AntibondingXin Yang aRobert M. Chin bMichael B. Hall c
When atomic orbitals interact, the resulting molecular orbital can be of three types: bonding, antibonding, or nonbonding. WikiMatrix The structure of orthorhombic sulphur has been fitted using a 6-exp potential function to describe the interactions between nonbonded atom pairs. springer It has ...
This AO-phase sensitive index is capable of distinguishing the bonding, nonbonding, and antibonding electronic states, as do the familiar bond-orders of ... RF Nalewajski - 《International Journal of Quantum Chemistry》 被引量: 73发表: 2010年 加载更多研究点推荐 Nonadditivity structure–activity ...
In this paper we present an experimental and theoretical study to investigate the electronic structures of [ML2] (M(III) = Cu, L = pdt and pds, pyrazine-2,3-dithiolate and -diselonate; M(III) = Au, L = pds) with the aim of elucidating the nature of the bonding and to establish ...
The studies indicate that the most important MO's involved in the oxidation is the antibonding 蟽* orbital of the iodonium salt and a non-bonding Pd(... KJ Szabó - 《Journal of Molecular Catalysis A Chemical》 被引量: 42发表: 2010年 The octet rule and hypervalence: two misunderstood con...
(b) Spectrum of the lowest energy state of a single micropillar (black) with a diameter of 4 μm, and of two coupled micropillars with different centre-to-centre distances (indicated in the figure). The two peaks in the traces arise from the splitting between bonding and antibonding modes...
The O2 molecule chemisorbs on such C active sites in a side-on configuration, which effectively weakens the O–O bonding and thus facilitates ORR at the NCNTs electrode. Sooner later, N-doped graphene materials have also been demonstrated as metal-free electrocatalysts for ORR in both acid ...
2(b) consists of three types of bands; the bonding (σ) states well below the VB top, the chalcogen lone pair pπ states forming the upper VB, and the antibonding (σ*) states forming the CB28,29,30. The pπ band is non-bonding, of high effective mass m*, and it does not ...
bondingantibondingempty surface resonancesA non-orthogonal tight-binding approach to the surface electronic structure of covalent semiconductors is formulated. Using a non-orthogonal basis of bonding, antibonding and dangling-bond orbital surface states, in particular empty surface resonances in the ...
While hydrogen bonding imposes a rather tight geometry between the interacting groups (Baker and Hubbard 1984; Jeffrey and Saenger, 1991; McDonald and Thornton, 1994), there exist other noncovalent interactions that also have geometric constraints (Burley and Petsko, 1988) and are thus specific. ...