Dihydrogen Bonds in Solid BH3NH3
โ Scribed by Carole A. Morrison; Muhammad M. Siddick
- Publisher
- John Wiley and Sons
- Year
- 2004
- Tongue
- English
- Weight
- 97 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0044-8249
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The "dihydrogen bond" DรH d+ โขโขโข dร HรE-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
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,