In silico search for planar hexacoordinate Silicon atom: A kinetically viable species

In silico search for planar hexacoordinate silicon center has been initiated by global minimum screening with density functional theory and energy refinement using coupled cluster theory. The search resulted in a local minimum of SiAl3Mg3H2+ structure which contains a planar hexacoordinate silicon center (phSi). The phSi structure is 5.8 kcal/mol higher in energy than the global minimum. However, kinetic studies reveal that the local minimum structure has enough stability to be detected experimentally. Born-Oppenheimer molecular dynamics (BOMD) simulations reveal that the phSi structure can be maintained up to 400 K. The formation of multiple bonds between the central silicon atom and framework aluminium atom is the key stabilizing factor for the planar structure.

Heat and Photon Energy Phenomena: Dealing with Matter at Atomic and Electronic Level

Technology is achieving its climax, but the basic understanding of science in numerous phenomena is still required. Misconception using terms such as photon and electron exists in different areas of science. When the electron of outer ring in silicon atom executes interstate dynamics for only one cycle, it generates force and energy of a unit photon. Interstate dynamics of the electron for one forward and reverse cycles generate the overt photon having the least measured length. When the photon of suitable length interacts with the side of laterally orientated electron of an atom, it converts into heat energy. Under the approximate angle of 90º, when a photon interacts with the tip of laterally orientated electron, it divides into the bits of energy having a shape like integral symbols. In silicon atom, electrons of the outer ring execute confined interstate dynamics on exerting forces along the poles; the centre of atom acts as the reference point for electrons executing interstate dynamics and the lateral lengths of the electrons are along the north-south poles. In neutral-state silicon atom, the involved heat energy wraps around the force shaping along the tracing trajectory of electron dynamics in both forward and reverse cycles. A force is being shaped from the sides of electron not experiencing the exertions of forces. In interstate dynamics, electron of the outer ring first reaches the ‘maximum limit point’, where energy of one bit is engaged wrapping around the shaping force along its tracing trajectory. From the ‘maximum limit point’, electron completes the second half cycle dealing with relevant forces, where again energy of one bit is engaged wrapping around the shaping force along the tracing trajectory. In this way, an electron depicts the force and energy relation forming a unit photon. The shape of unit photon is like ‘Gaussian distribution of turned ends’. Under uninterrupted supply of heat energy to the silicon atom, an electron dynamics generates the photon having a shape like wave. Path independent but interstate dependent forces take over the control of electron. Hence, that electron executes dynamics nearly in the speed of light. In confined interstate dynamics, naturally viable conservative forces exert to the position-acquiring electron. A photon can be in the continuous and unending length if the electron dynamics remains uninterrupted. Having not made contact with states limiting forces at work, the changing aspect of electron recalls auxiliary moment of inertia at each point of turning. By executing electron dynamics, atoms under neutral states generate photons of different shapes, so revealing the phenomena of heat and photon energy.

Is a Transition metal-Silicon Quadruple Bond Viable?

Quadruple bonding in heavier main group elements is not known albeit having four valence orbitals accessible for bonding. Here we report the unprecedented quadruple bonding between silicon atom and a...

The Effects of Doping on the Electronic Characteristics and Adsorption Behavior of Silicon Polyprismanes

Quantum–chemical calculations of the electronic characteristics of carbon and boron-doped silicon polyprismanes were carried out, and the atomic hydrogen adsorption on these structures was analyzed. It was established that silicon polyprismanes doped with boron and carbon retained their metallicity predicted earlier. It was shown that the doping of polyprismanes made them more thermodynamically stable. For the silicon prismanes doped with boron or carbon, hydrogen adsorption was found to be energetically favorable. In the case of boron-doped prismanes, adsorption on the boron impurity was much more advantageous than on the neighboring silicon nodes. For the carbon doping, the adsorption energy of polyprismane with a small diameter weakly depended on the position of the hydrogen atom near the impurity center. However, for the C-doped polyprismanes with a larger diameter, the hydrogen adsorption on the silicon atom belonging to the ring with impurity is more energetically favorable than the adsorption on the silicon atom from the adjacent ring.