Torsional potentials and conformational structures for 3-chloropropanal ClH2CCH2CHO and 3-chloropropanoyl chloride ClH2CCH2CClO and parameter values for the nonbonding interaction C(sp3) ⋯ O(carbonyl) as used in molecular-mechanics calculations-Reference-Cited by-同舟云学术

Torsional potentials and conformational structures for 3-chloropropanal ClH2CCH2CHO and 3-chloropropanoyl chloride ClH2CCH2CClO and parameter values for the nonbonding interaction C(sp3) ⋯ O(carbonyl) as used in molecular-mechanics calculations

Published:1987-07 Issue:3-4 Volume:159 Page:311-323
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Stølevik Reidar,Bakken Pirkko

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference20 articles.

1. Parameter values of non-bonded atom—atom interactions in the morse-potential formulation

2. Non-bonded potentials for the atom—atom interactions Cl⋯OC and H⋯OC as derived from gas-phase data using molecular-mechanics calculations

3. Potentials for the non-bonded atom ⋯atom interactions Cl⋯C(sp2) and C(sp3)⋯C(sp2) as derived from gas-phase data on chloropropenes and butenes using molecular mechanics calculations

4. The morse curve as a non-bonded potential function

5. A molecular mechanics calculation of conformational energies and barrier heights in haloalkanes

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1. Structure and vibrational spectra of bromine reservoir species from the atmospheric oxidations of bromoethane and bromopropane;Molecular Physics;2008-02

2. Conformational analysis and photolysis of matrix isolated 3-chloropropanoyl chloride monitored by FTIR spectroscopy;Journal of Molecular Structure;1998-02

3. Torsional potentials and conformational structures in chloro-substituted propanals as determined by molecular mechanics calculations;Journal of Molecular Structure;1993-12

4. Distance dependence of nonadiabaticity in the branching between C–Br and C–Cl bond fission following 1[n(O),π*(C=O)] excitation in bromopropionyl chloride;The Journal of Chemical Physics;1993-09-15

5. Far-infrared spectrum, conformational stability, barriers to internal rotation, ab initio calculations, and vibrational assignment of propionyl bromide;Journal of Molecular Structure;1991-04