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Characterizing Hydrogen Bonding and Proton Transfer in 2:1 FH:NH 3 and FH:Collidine Complexes through One- and Two-Bond Spin−Spin Coupling Constants across Hydrogen Bonds

✍ Scribed by Del Bene, Janet E.; Elguero, José


Book ID
126989902
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
190 KB
Volume
109
Category
Article
ISSN
1089-5639

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Probing the proton-transfer coordinate o
✍ Janet E. Del Bene; José Elguero 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 428 KB

## Abstract Scalar coupling constants have been computed using the EOM‐CCSD method for equilibrium structures of complexes stabilized by FH…P hydrogen bonds, as well as structures along the proton‐transfer coordinates of these complexes. Variations in the signs and absolute values of ^1^__J__(FH)