Related Experiment Video
Updated: Jul 2, 2026

A Microwave-Assisted Direct Heteroarylation of Ketones Using Transition Metal Catalysis
Published on: February 16, 2020
A microwave and quantum chemical study of cyclopropaneselenol
Rajmund Mokso1, Harald Møllendal, Jean-Claude Guillemin
1Centre for Theoretical and Computational Chemistry (CTCC), Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, NO-0315 Oslo, Norway.
Abstract:
The microwave spectrum of cyclopropaneselenol, C 3H 5SeH, has been investigated in the 21.9-80 GHz frequency range. The microwave spectra of the ground vibrational state of five isotopologues of cyclopropaneselenol (C 3H 5 (82)SeH, C 3H 5 (80)SeH, C 3H 5 (78)SeH, C 3H 5 (77)SeH, and C 3H 5 (76)SeH) of one conformer, as well as the spectra of two vibrationally excited states of each of the C 3H 5 (80)SeH and C 3H 5 (78)SeH isotopologues of this rotamer, have been assigned. The H-C-Se-H chain of atoms is synclinal in this conformer, and there is no indication of further rotameric forms in the microwave spectrum. The b-type transitions of the ground vibrational state of the more abundant species C 3H 5 (80)SeH and C 3H 5 (78)SeH were split into two components, which is assumed to arise from tunneling of the proton of the selenol group between two equivalent synclinal potential wells. The tunneling frequencies were 0.693(55) MHz for C 3H 5 (80)SeH and 0.608(71) MHz for C 3H 5 (78)SeH. The microwave study has been augmented by high-level density functional and ab initio quantum chemical calculations, which indicate that the H-C-Se-H dihedral angle is approximately 75 degrees from synperiplanar (0 degrees).
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
10:42Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of Chalcogenidoplumbates(II or IV)
Published on: December 29, 2016
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...
Conformations of Cycloalkanes
Cycloaddition Reactions: MO Requirements for Photochemical Activation
Cycloaddition Reactions: MO Requirements for Thermal Activation
Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group with both...
Thermal Electrocyclic Reactions: Stereochemistry
Selection Rules: Thermal Activation
Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.