The rotational spectra of two conformers of 1,4-butanediol have been assigned by pulsed-jet Fouriertransform microwave spectroscopy. Both species display an intra-molecular OH O hydrogen bond. For the most stable conformer, the rotational spectra of four isotopologues (OH–OH, OD–OH, OH–OD and OD–OD) have been measured. The la-type transition of its two symmetric species, OH–OH and OD–OD, are split into two evenly spaced component lines separated by 6.292(1) and 0.0137(5) MHz, respectively. These splittings are due to the concerted internal rotation of the two OH (or OD) alcoholic groups, which connects two equivalent minima. A partial rs structure has been obtained.
Conformational analysis of 1,4-butanediol: A microwave spectroscopy study / Luca Evangelisti;Qian Gou;Lorenzo Spada;Gang Feng;Walther Caminati. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 556:(2013), pp. 55-58. [10.1016/j.cplett.2012.11.080]
Conformational analysis of 1,4-butanediol: A microwave spectroscopy study
EVANGELISTI, LUCA;GOU, QIAN;SPADA, LORENZO;FENG, GANG;CAMINATI, WALTHER
2013
Abstract
The rotational spectra of two conformers of 1,4-butanediol have been assigned by pulsed-jet Fouriertransform microwave spectroscopy. Both species display an intra-molecular OH O hydrogen bond. For the most stable conformer, the rotational spectra of four isotopologues (OH–OH, OD–OH, OH–OD and OD–OD) have been measured. The la-type transition of its two symmetric species, OH–OH and OD–OD, are split into two evenly spaced component lines separated by 6.292(1) and 0.0137(5) MHz, respectively. These splittings are due to the concerted internal rotation of the two OH (or OD) alcoholic groups, which connects two equivalent minima. A partial rs structure has been obtained.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
