𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the blue-shifting hydrogen bond in tribromoacetaldehyde dimers

✍ Scribed by Roman Szostak


Book ID
113555057
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
298 KB
Volume
514
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Bond contraction and spectral blue-shift
✍ Uri Dinur 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 652 KB

HX bonds are often elongated upon forming a hydrogen-bonded complex. Concomitantly, the HX stretching frequency undergoes a red-shift. Ab initio calculations for several dimers of HF suggest that an opposite behavior may sometimes arise for the proton acceptor, namely, the bond that is adjacent to t

Blue-shifting hydrogen bond in the benze
✍ Jose M. Hermida-Ramón; Ana M. Graña 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 208 KB

## Abstract __Ab initio__ complete optimizations at MP2/6‐31++G\*\* level have been performed in the T‐shaped geometry of the benzene–benzene and benzene–naphthalene complexes. To check the effect of the basis set superposition error (BSSE), optimizations have been done in the BSSE corrected and BS