The rotational spectra of two isotopologues of a 1:1 difluoromethane– dichloromethane complex have been investigated by pulsed-jet Fourier- transform microwave spectroscopy. The assigned (most stable) isomer has Cs symmetry and it displays a network of two CH···ClC and one CH···FC weak hydrogen bonds, thus suggesting that the former interactions are stronger. The hyperfine structures owing to 35Cl (or 37Cl) quadrupolar effects have been fully resolved, thus leading to an accurate determination of the three diagonal (cgg ; g=a, b, c) and the three mixed quadrupole coupling constants (cgg’; g, g’=a, b, c; g¼6 g’). Information on the structural parameters of the hydrogen bonds has been obtained. The dissociation energy of the complex has been estimated to be 7.6 kJmol1.
Interactions between Freons: A Rotational Study of CH2F2-CH2Cl2 / Qian Gou;Lorenzo Spada;Montserrat Vallejo-López;Zbigniew Kisiel;Walther Caminati. - In: CHEMISTRY - AN ASIAN JOURNAL. - ISSN 1861-4728. - STAMPA. - 9:(2014), pp. 1032-1038. [10.1002/asia.201301722]
Interactions between Freons: A Rotational Study of CH2F2-CH2Cl2
GOU, QIAN;SPADA, LORENZO;CAMINATI, WALTHER
2014
Abstract
The rotational spectra of two isotopologues of a 1:1 difluoromethane– dichloromethane complex have been investigated by pulsed-jet Fourier- transform microwave spectroscopy. The assigned (most stable) isomer has Cs symmetry and it displays a network of two CH···ClC and one CH···FC weak hydrogen bonds, thus suggesting that the former interactions are stronger. The hyperfine structures owing to 35Cl (or 37Cl) quadrupolar effects have been fully resolved, thus leading to an accurate determination of the three diagonal (cgg ; g=a, b, c) and the three mixed quadrupole coupling constants (cgg’; g, g’=a, b, c; g¼6 g’). Information on the structural parameters of the hydrogen bonds has been obtained. The dissociation energy of the complex has been estimated to be 7.6 kJmol1.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
