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Hydrogen bonding of the hydroxyl group and spin—spin coupling of the ring protons of substituted phenols

✍ Scribed by Kim F. Wong; Soon Ng

Book ID
113373809
Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
277 KB
Volume
32
Category
Article
ISSN
1386-1425

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Probing the proton-transfer coordinate o
Probing the proton-transfer coordinate of complexes with FH…P hydrogen bonds using one- and two-bond spin–spin coupling constants
✍ 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)