Non-bonding oxygens

The LUMO of COFj is a x(CO) antibonding orbital whilst the HOMO essentially corresponds to a non-bonding oxygen 2p orbital directed in the plane of the molecule. The SHOMO, of bj symmetry, is a CO x-bonding orbital, which is also antibonding with respect to fluorine. Between the 4b, and la orbitals, which are both very pure fluorine lone-pair... 

A. By contrast, the O shell in Na2CaSi50i2 is split into two subshells with bonding oxygen atoms (Na—O 2.3 A) and non-bonding oxygen atoms (Na—O 3A). This situation has already been observed in crystal structures of ternary silicates such as Na CaSiO where the sodium environment is very irregular. 

In order to crystallize silicate glasses it is not necessary to remove the modifier cations since they can interact with more than one oxygen tetrahedron due to their ionic bonding character. Thus, these cations act as connecting links between the non-bonding oxygen atoms. First of aU one deals with a kinetic problem, and often a previous phase separation process is needed to get crystallizable components. 

The [TeQs] structural units are expected to participate in the depolymerization of the glass network because they create more bonding defects and non-bonding oxygens. 

Some of the fresh cut surfaces ( 100, 001, lOl, and 102 ) where silicon was found to be four coordinated were subjected to the rearrangement that is carried out before minimization. Each non-bonded oxygen atom, if present, is transferred along with one top surface calcium atom (to maintain charge neutrality) to the bottom of Region 1 of Block 1. For the lOl plane, we obtained two such cuts, with one and two lone oxygen atoms. However, after transformation and minimization. 

Neither singlet nor triplet excited anthracene was observed in the second reaction shown [51]. The absence of the non-bonding oxygen orbitals and the... 

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