e.g. cyclopropane. the orbitals in the C-C bonds are not strictly head-on overlapping; they're described as "banana bonds". however there's a simple way to "estimate" the bond angle that is by ESPER theory. also the fact that "lone pair-bond pair repulsion > bond pair-b...
Our kinetics experiments thus show that the angle strain, associated with incorporating a trigonal carbon atom into the three-membered ring, is not responsible for the majority of the additional strain energy of methylenecyclopropane, relative to that of cyclopropane....
A 2012 report from Zhang and Tang described a markedly different strategy toward the synthesis of bridged welwitindolinones, wherein the vinyl chloride moiety is installed in the early stages of the synthesis via a remarkable Rh-catalyzed [5 + 1]-cycloaddition of allenylcyclopropane 311 with ...
The bent bond theory can also explain other phenomena in organic molecules. Influoromethane(CH3F) for instance the experimental F-C-H bond angle is 109° but should be less. This is due to the fact that according toBent‘s rule,the C-F bond gains p-orbital character leading to high s-...
A comparative study between cyclotrisilane and cyclopropane by ab initio calculation and natural bond orbital analysis was carried out. A higher strain energy in the former can be attributed to a weaker rehybridization capbility of silicon relative to carbon in response to the angle strain such ...
Draw a line-bond structure for 1,3-butadiene, H_2C=CH-CH=CH_2. Indicate the hybridization of the orbitals on each carbon, and predict the value of each bond angle. Draw the structure of the molecule cyclopropane. Draw the structure of the missing compound A-C in the following...
distributionfoilshydrocarbonsmolecular ionsmonte carlo methodpolarizationThe effect of target polarization fields on the bond-angle distribution following the foil-... L Lammich,H Buhr,H Kreckel,... - 《Physical Review A Atomic Molecular & Optical Physics》 被引量: 33发表: 2004年 An infrared spec...
cyclopropanecarboxylic anhydride afforded the product6hin 81% yield with 85% ee. The acrylic anhydride derivatives also reacted with4buneventfully to furnish the products in excellent ee values (6i–6k). The aromatic anhydrides were also compatible substrates. Thep-methylbenzoic anhydride gave a ...
The CC double bond in singlet 1 is twisted by 45°, and the strain energy is 93 kcal/mol in agreement with molecular mechanics results. Triplet 1 has a nearly perfectly perpendicular conformation at the central CC bond (87° torsional angle), but it is still strained by 42 kcal/mol and...
The highest value for 10c and the higher value for 10b than for 10a are due to the scissor effect, because the shorter bridge at the opposite peri position induces greater angle strain on the naphthalene nucleus. In contrast to the preference for the skewed conformer in DSAP, the eclipsed ...