4

There may be experimental data for the specific cycloalkane in question, for example by a single-crystal diffraction analysis. Beside entries in the primary literature, there are databases with the relevant structure data including the atomic coordinates; the later ones may be used to calculate the angles in question. If experimental data are not (yet) ...


4

The dissociation energies are different because bonds don't all break at once Most chemical processes happen step by step. Even in simple molecules like methane where there are only 4 bonds, bond dissociation almost always occurs stepwise. The implication of this is that you would not expect each step to involve the same energy (and this applies whatever ...


3

When applying VSEPR, imagine that the various electron pairs occupy "orbitals", in essence volumes shaped like balloons, protruding from the central atom (in this case chlorine). The electrons ("orbitals") repel each other. Which repulsive interaction is strongest? One assumes that, placed in equivalent relative positions (angles), LP-LP (...


2

The original article on UFF is from 1992, so it is somewhat dated. The selection of "natural bond" values is explained on page 10028: a. Standard Bond Angles. The natural angles for the group 15, 17, and 18 main group elements are obtained from standard reference structures of the parent hydrides. Thus 0-3 has Bo = 104.5' from HzO, while S3 has Bo ...


2

There is a d-Orbital-Contributions to HOMO in d0 MX2-Complexes. All higher‐level calculations show SrH2 and BaH2 to be bent with angles of ∼140° and 120°, respectively, while CaH2 is linear with a flat potential‐energy surface for the bending motion. The use of a core‐polarization potential together with the 2‐valence‐electron pseudopotential approach allows ...


1

According to VSEPR theory, the bond angles in case of CH3Cl and CH3Br is based on bond pair - bond pair repulsion only as there are no lone pairs in them. The bond pair electrons are spread within the bond distance between the bonded atoms. The bond distance for C-Br bond (1.934 A°) is larger than the C-Cl bond (1.781 A°) and also there is not effective ...


1

There have been a few efforts to experimentally quantify the polarizability volume of lone pairs, including: "Polarizability of Non-Bonding Electron Pairs" Australian Journal of Chemistry (1965) 18 (3) , pp.253-. They estimate lone-pair polarizabilities from a series of molar refraction measurements (per lone pair). The refractivity of a molecule ...


1

As the compound is negatively charged, there is an extra electron present in the compound. Since the extra electron is held on nitrogen, there is 4 electrons on nitrogen instead of just 3. The extra electron will not be held on either hydrogens as it would be too unfavourable.


1

Bond energies are important, but you have to start somewhere. Actually, I'm surprised that the bond energies for the four dissociations are so similar. But that's a good start. Now let's get into a bit more interesting compound: ethane. Very interesting! The table is only part of the information on ethane given in an open access article (Ref 1). Note that ...


1

You can find the hybridization by AXE method; Here A represents the atom that we're interested in (usually the central atom), X the number of atoms bonded to the central molecule or the one we're interested in, and E are the non-bonding electrons (lone pairs). The total number of X and E is known as the steric number. Formula Shape (Name) Bond Angles ...


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