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A theoretical study of cadmium—ethylenediamine and —ammonia exciplexes. Comparison with experiments

✍ Scribed by Osamu Takahashi; Ko Saito; Shunzo Yamamoto; Norio Nishimura

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
390 KB
Volume
207
Category
Article
ISSN
0009-2614

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✦ Synopsis

A quautum-chemical calculation has been made for some complexes of cadmium atoms with ethylenediamine and ammonia by using relativistic e&be core potentials. Calculated results show that the luminescences from the two-coordinate or cyclic exciplexes correspond to wavelengths longer than those from the one-coordinate exciplexes, in agreement with experimental ob servations. The difference in their wavelengths is explained by the fact that in the two-coordinate exciplexes there is a broadening of the p orbitals of the cadmium atom, to which amines interact strongly, There is no substantial change in the bond distance of Cd-N at the minimum potential energy for the above two types of complexes.

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