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The thermodynamically unfavored conformation has the t-Bu group in the axial position, which is higher in energy by more than 5 kcal/mol (see A value). [24] As a result, the t-Bu group "locks" the ring in the conformation where it is in the equatorial position and substitution reaction is observed.
The gauche effect is very sensitive to solvent effects, due to the large difference in polarity between the two conformers.For example, 2,3-dinitro-2,3-dimethylbutane, which in the solid state exists only in the gauche conformation, prefers the gauche conformer in benzene solution by a ratio of 79:21, but in carbon tetrachloride, it prefers the anti conformer by a ratio of 58:42. [9]
Eclipsed conformation (image right in Newman projection) Staggered conformation. In chemistry an eclipsed conformation is a conformation in which two substituents X and Y on adjacent atoms A, B are in closest proximity, implying that the torsion angle X–A–B–Y is 0°. [1]
(Here M is a metal atom, and X and Y are two different types of ligands.) In the cis isomer, the two Y ligands are adjacent to each other at 90°, as is true for the two chlorine atoms shown in green in cis-[Co(NH 3) 4 Cl 2] +, at left. In the trans isomer shown at right, the two Cl atoms are on opposite sides of the central Co atom.
More complex molecules, such as butane, have more than one possible staggered conformation. The anti conformation of butane is approximately 0.9 kcal mol −1 (3.8 kJ mol −1) more stable than the gauche conformation. [1] Both of these staggered conformations are much more stable than the eclipsed conformations.
Cis-1,4-Di-tert-butylcyclohexane has an axial tert-butyl group in the chair conformation and conversion to the twist-boat conformation places both groups in more favorable equatorial positions. As a result, the twist-boat conformation is more stable by 0.47 kJ/mol (0.11 kcal/mol) at 125 K (−148 °C) as measured by NMR spectroscopy. [9]
Any disorder in hydrogenation conformation tends to contract the lattice constant by about 2.0%. [8] Graphane is an insulator. Chemical functionalization of graphene with hydrogen may be a suitable method to open a band gap in graphene. [1] P-doped graphane is proposed to be a high-temperature BCS theory superconductor with a T c above 90 K. [9]
Hyperconjugation can be used to rationalize a variety of chemical phenomena, including the anomeric effect, the gauche effect, the rotational barrier of ethane, the beta-silicon effect, the vibrational frequency of exocyclic carbonyl groups, and the relative stability of substituted carbocations and substituted carbon centred radicals, and the thermodynamic Zaitsev's rule for alkene stability.