𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Hydrogen bonding between vinylacetylene and HF: the role of steric effects in the geometry of vinylacetylene…HX complexes

✍ Scribed by Z. Kisiel; P.W. Fowler; A.C. Legon

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
545 KB
Volume
176
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

The rotational spectrum of a hydrogen-bonded dimer between vinylacetylene (H,C=CHC=CH)

and HF has been obtained with a pulsed-nozzle Fourier-transform mxrowave spectrometer. Analysis of the derived spectroscopic constants shows that the HF molecule attaches preferentially to the triple bond in vinylacetylene, in a T-type configuration close to the C=C bisector, at a perpendicular distance RCC..F of 3.072 A. The r, structure of the dimer is planar and a limit of 9" is placed on the equilibrium departure from planarity by consideration of the average r' structure, This is in contrast to an out-of-plane angle of 34" in vinylacetylene...HCl; the difference is rationalised in terms of changes in steric interaction between vinylacetylene and the HX proton

📜 SIMILAR VOLUMES

Hydrogen bond studies. 71. Ab initio cal
Hydrogen bond studies. 71. Ab initio calculation of the vibrational structure and equilibrium geometry in HF−2 and DF−2
✍ Jan Almlöf 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 359 KB

MO LCAO SW calcnlations have been performed to invcstigatc the molecular structure and vibrational spectrum of the bifluoridc ion in its normal and deuterated form. The potential energy for nuclear motions has been evaluated = 3 function of the molecular degrees of freedom. tnkhg only iincnr gcometr

Influence of the temperature-dependent d
Influence of the temperature-dependent dielectric constant on the H/D isotope effects on the NMR chemical shifts and the hydrogen bond geometry of the collidine–HF complex in CDF3/CDClF2 solution
✍ Ilja G. Shenderovich; Andrej P. Burtsev; Gleb S. Denisov; Nikolai S. Golubev; Ha 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 313 KB

The influence of solvent polarity on the properties of hydrogen-bonded 1 : 1 complexes of 2,4,6trimethylpyridine-15 N with HF and DF, labeled below as FHN and FDN, has been studied by multinuclear magnetic resonance spectroscopy in the slow hydrogen bond exchange regime reached below 190 K. Mixtures

Theoretical Study of the Interplay betwe
Theoretical Study of the Interplay between Lithium Bond and Hydrogen Bond in Complexes Involved with HLi and HCN
✍ Qingzhong Li; Ting Hu; Xiulin An; Wenzuo Li; Jianbo Cheng; Baoan Gong; Jiazhong 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 180 KB 👁 2 views

## Abstract __The lithium‐ and hydrogen‐bonded complex of HLiNCHNCH is studied with ab initio calculations. The optimized structure, vibrational frequencies, and binding energy are calculated at the MP2 level with 6‐311++G(2d,2p) basis set. The interplay between lithium bonding and hydrogen bondi