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Structure and energetics of weakly bound complexes: systems incorporating NH3 and PH3

โœ Scribed by Steve Scheiner


Book ID
113256758
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
964 KB
Volume
200
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES


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โœ Reinhart Ahlrichs; Wolfgang Koch ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 346 KB

Extended basis set computations on SCF and CEPA level were performed for BHJNHs and BHsPHs to determine the complexation energy AE and the equilibrium distance r(BX) between the "heavy" atoms. Our CEPA results (SCF in parentheses): AJ!?(BH~NH) = -27(-21.3) kcal/mol, M(LiHsPH3) = -17(-11.8) kcal/mol,

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## Abstract In an earlier publication (__J. Am. Chem. Soc.__ 2002, __124__, 7111) we showed that polymeric cationic [Ag(P~4~S~3~)~__n__~]^+^ complexes (__n__=1, 2) are accessible if partnered with a suitable weakly coordinating counterion of the type [Al(OR^F^)~4~]^โˆ’^ (OR^F^: polyโ€ or perfluorinate