Related Experiment Video
Updated: Jul 31, 2026

A Study of the Complexation of Mercury(II) with Dicysteinyl Tetrapeptides by Electrospray Ionization Mass Spectrometry
Published on: January 8, 2016
Ab initio study of the structures and stabilities of the dimer of ethyl cation, (C(2)H(+)(5))(2) and related
G A Olah1, G K Prakash, G Rasul
1Loker Hydrocarbon Research Institute, Department of Chemistry, University of Southern California, University Park, Los Angeles, CA 90089-1661, USA. olah@usc.edu
Abstract:
Ab initio calculations at the MP4(SDTQ)/6-311G//MP2/6-31G level were performed to study the structures and stabilities of the dimer of ethyl cation, (C(2)H(+)(5))(2), and related C(4)H(10)(2+) isomers. Two doubly hydrogen bridged diborane type trans 1 and cis 2 isomers were located as minima. The trans isomer was found to be more favorable than cis isomer by only 0.6 kcal/mol. Several other minima for C(4)H(10)(2+) were also located. However, the global energy minimum corresponds to C-H (C(4) position) protonated 2-butyl cation 10. Structure 10 was computed to be substantially more stable than 1 by 31.7 kcal/mol. The structure 10 was found to be lower in energy than 2-butyl cation 13 by 34.4 kcal/mol.
More Related Videos
09:45Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
Published on: March 20, 2017
06:46Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
Related Concept Videos
Stability of Substituted Cyclohexanes
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
Disubstituted Cyclohexanes: cis-trans Isomerism
In cyclohexane, the substituents can occupy different positions generating distinct isomers.
Naming Enantiomers
Stereoisomerism of Cyclic Compounds
Preparation and Reactions of Sulfides
Stability of Conjugated Dienes
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.