Pregled bibliografske jedinice broj: 818024
A valence force field for phenylalkynes. Part II. Fundamental frequencies of phenylacetylene and tolane and molecular conformation of tolane in solution.
A valence force field for phenylalkynes. Part II. Fundamental frequencies of phenylacetylene and tolane and molecular conformation of tolane in solution. // Journal of molecular structure, 147 (1986), 3-4; 275-300 doi:10.1016/0022-2860(86)80382-9 (međunarodna recenzija, članak, znanstveni)
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Naslov
A valence force field for phenylalkynes. Part II. Fundamental frequencies of phenylacetylene and tolane and molecular conformation of tolane in solution.
Autori
Baranović, Goran ; Colombo, Lidija ; Škare, Danko.
Izvornik
Journal of molecular structure (0022-2860) 147
(1986), 3-4;
275-300
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
phenylacetylenes ; force field
Sažetak
The Raman and infrared spectra of tolane solutions and solid were recorded in the range 3200—30 cm−1. An overlay calculation of valence force field for a group of molecules (benzene, phenylacetylene, tolane and diphenyldiacetylene) was undertaken to assign the tolane and diphenyldiacetylene fundamentals. A 46-parameter force field was derived from 371 observed wavenumbers. Reasonably good fits were obtained with an average error of 7 cm−1 for in-plane and 6 cm−1 for out-of-plane frequencies. The tolane conformation in solution is discussed and evidence that the most probable geometry is planar is presented. Some experimental results inexplicable in terms of the planar model were obtained, and were ascribed to the fraction of non-planar molecules present.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb
Citiraj ovu publikaciju:
Časopis indeksira:
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
