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Electric and magnetic properties of the BrCl molecule

✍ Scribed by P.W. Fowler; A.C. Legon; S.A. Peebles; E. Steiner

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 435 KB
Volume: 238
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00337-1

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✦ Synopsis

Self-consistent-field calculations on BrCl in a basis of 212 uncontracted Gaussian functions reproduce the measured dipole moment, nuclear quadrupole and spin-rotation coupling constants to within a few percent. The calculated mean polarisability of 36.8 au is 7% smaller than the average of the measured values for Br2 and Cl2. Combination of the calculated diamagnetic nuclear shielding with the measured spin-rotation constant gives a value of 1627 ppm for the total shielding at bromine in BrCl.

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