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Dihydrogen Bonds in Solid BH3NH3

โœ Scribed by Carole A. Morrison; Muhammad M. Siddick

Publisher
John Wiley and Sons
Year
2004
Weight
7 KB
Volume
35
Category
Article
ISSN
0931-7597

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๐Ÿ“œ SIMILAR VOLUMES

Dihydrogen Bonds in Solid BH3NH3
Dihydrogen Bonds in Solid BH3NH3
โœ Carole A. Morrison; Muhammad M. Siddick ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 96 KB

The "dihydrogen bond" Dร€H d+ โ€ขโ€ขโ€ข dร€ Hร€E-where D is a typical electrostatic atom such as nitrogen or oxygen, and E is a transition metal or boron-was first described by Crabtree and co-workers. [1] Both inter-and intramolecular versions of this bond have been cited, and with typical energies in the r

Dihydrogen Bonds in Solid BH3NH3
Dihydrogen Bonds in Solid BH3NH3
โœ Carole A. Morrison; Muhammad M. Siddick ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 97 KB
The thermal dissociation of NH3BH3
The thermal dissociation of NH3BH3
โœ V. Sit; R.A. Geanangel; W.W. Wendlandt ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 205 KB
Computation of the complexation energies
Computation of the complexation energies of BH3NH3 and BH3PH3
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,