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A study of the large amplitude motions of indoline through microwave spectroscopy and ab initio calculations. Evidence of ring puckering and butterfly motion coupling. (Articolo in rivista)
- Type
- Label
- A study of the large amplitude motions of indoline through microwave spectroscopy and ab initio calculations. Evidence of ring puckering and butterfly motion coupling. (Articolo in rivista) (literal)
- Anno
- 1993-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1080/00268979300101011 (literal)
- Alternative label
Caminati, Walther; Favero, Laura; Velino, Biagio; Zerbetto, Francesco (1993)
A study of the large amplitude motions of indoline through microwave spectroscopy and ab initio calculations. Evidence of ring puckering and butterfly motion coupling.
in Molecular physics (Print); TAYLOR & FRANCIS LTD, London (Regno Unito)
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Caminati, Walther; Favero, Laura; Velino, Biagio; Zerbetto, Francesco (literal)
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- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Centro di Studio di Specttroscopia a Microonde, Dipartimento di Chimica, \"G. Ciamician\" dell' Universita', Via Selmi 2, I-40126, Bologna, Italy; Istituto di Specttroscopia Molecolare de C.N.R., Via de' Castagnoli 1, I-40126, Bologna, Italy; Dipartimento di Chimica Fisica ed Inorganica dell' Universita', Viale Risorgimento 4, I-40136, Bologna, Italy; Dipartimento di Chimica \"G. Ciamician\" dell' Universita', Via Selmi 2, I-40126, Bologna, Italy; (literal)
- Titolo
- A study of the large amplitude motions of indoline through microwave spectroscopy and ab initio calculations. Evidence of ring puckering and butterfly motion coupling. (literal)
- Abstract
- We report the gas phase microwave observation and subsequent analysis of the ring puckering level splitting of indoline and its N-D isotopomer. The spectra of the four lowest vibrational states are modelled through a two-dimensional vibrational Hamiltonian to furnish a coherent picture. According to this new picture, five-membered rings with a single double bond and five-membered rings in which the double bond is fused with a benzenic ring share a similar low ring puckering barrier. Discrepancies with previous work are ascribed to the use of a one-dimensional vibrational Hamiltonian. Ab initio calculations concur with the present analysis. (literal)
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