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Theoretical calculations on σ‐systems, part 1: Ethers and chloro‐substituted ethers
Author(s) -
Ghosh Kunal,
Bhattacharyya Subirnath,
Sen Purnendranath
Publication year - 1970
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560040402
Subject(s) - quadrupole , dipole , chemistry , coupling constant , computational chemistry , connection (principal bundle) , charge (physics) , charge density , oxygen atom , atom (system on chip) , hydrogen bond , hydrogen atom , coupling (piping) , atomic physics , chemical physics , molecular physics , organic chemistry , materials science , physics , molecule , quantum mechanics , group (periodic table) , structural engineering , computer science , engineering , metallurgy , embedded system
The charge on each atom of some ethers and chloro‐substituted ethers, their dipole moments and the quadrupole coupling constants of the chloroethers have been calculated with the method suggested by Del Re. There appears to be an intimate connection between the charge density on the oxygen atoms and the capacity of forming hydrogen bond.