The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Characterization of a Dihydrogen Bond on the Basis of the Electron Density
Abstract
A new type of hydrogen bond, called a dihydrogen bond, has recently been introduced. In this bond a hydrogen is donated to another (hydridic) hydrogen. We apply a set of criteria developed in the context of the theory of “atoms in molecules” that were previously successfully used to study conventional hydrogen bonds. This method enables one to characterize the dihydrogen bond on the basis of the electron density only. We investigated a dimer structure of BH 3 NH 3 at the ab initio level which contains two dihydrogen bonds that differ in strength. The combination of a theoretical density with our hydrogen-bonding criteria turns out to be a valuable new and independent source of information complementary to techniques such as NMR, IR, and structural crystallography.
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Cites
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
Krishnan, R., Binkley, J. S., Seeger, R., & Pople, J. A. (1980) · The Journal of Chemical Physics · doi:10.1063/1.438955 · Cited by 17,772
Cited by
Ammonia-Borane and Related Compounds as Dihydrogen Sources
Staubitz, A., Robertson, A. P. M., & Manners, I. (2010) · Chemical Reviews · doi:10.1021/cr100088b · Cited by 1,247
Hydrogen bonding in ionic liquids
Hunt, P. A., Ashworth, C. R., & Matthews, R. P. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00278d · Cited by 836
Chen, W., Li, Z.-R., Wu, D., Li, Y., & Sun, C.-C. (2005) · The Journal of Chemical Physics · doi:10.1063/1.2061222 · Cited by 16
Metadata
- Authors
- Popelier, P. L. A.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 1998-02-04
- Volume
- 102
- Issue
- 10
- Pages
- 1873-1878
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W1991127835
- Cited by
- 1,132
- References
- 1
- FWCI
- 9.62
- Type
- journal article
- Language
- en
- Open access
- closed
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