TY - JOUR
T1 - Experimental determination of the relationship between S=O bond length and its stretching frequency of the DMSO molecule
AU - Kameda, Yasuo
AU - Oshita, Yuto
AU - Amo, Yuko
AU - Usuki, Takeshi
AU - Watanabe, Hikari
AU - Umebayashi, Yasuhiro
AU - Ikeda, Kazutaka
AU - Honda, Takashi
AU - Otomo, Toshiya
N1 - Publisher Copyright:
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PY - 2024/11/1
Y1 - 2024/11/1
N2 - Time-of-flight neutron diffraction, x-ray diffraction, and attenuated total reflection infrared spectroscopic measurements have been carried out for pure deuterated dimethylsulfoxide (DMSO-d6), concentrated 20 mol% lithium bis(trifluorosulfonyl)amide-DMSO-d6, 14 mol% LiCl-DMSO, and 3 mol% NiCl2-DMSO solutions in order to obtain the relationship between the intramolecular S=O bond length (rSO) and its stretching vibrational frequency (νSO) in the liquid state. The S=O bond length of the DMSO molecule has been determined from the least-squares fitting analysis of neutron and x-ray total interference terms observed in the high Q-region. The νSO-rSO plot that involved the present results and experimental data reported for gaseous and crystalline DMSO as well as DMSO complexes with metal ions has indicated that the νSO-rSO relationship is well approximated by a linear function. The value dνSO/drSO = -3,600 ± 400 cm-1Å-1 was obtained from the slope of the fitted function. It has been revealed that the S=O bond length of the DMSO molecule sensitively reflects the intermolecular interactions that it is receiving from its environment.
AB - Time-of-flight neutron diffraction, x-ray diffraction, and attenuated total reflection infrared spectroscopic measurements have been carried out for pure deuterated dimethylsulfoxide (DMSO-d6), concentrated 20 mol% lithium bis(trifluorosulfonyl)amide-DMSO-d6, 14 mol% LiCl-DMSO, and 3 mol% NiCl2-DMSO solutions in order to obtain the relationship between the intramolecular S=O bond length (rSO) and its stretching vibrational frequency (νSO) in the liquid state. The S=O bond length of the DMSO molecule has been determined from the least-squares fitting analysis of neutron and x-ray total interference terms observed in the high Q-region. The νSO-rSO plot that involved the present results and experimental data reported for gaseous and crystalline DMSO as well as DMSO complexes with metal ions has indicated that the νSO-rSO relationship is well approximated by a linear function. The value dνSO/drSO = -3,600 ± 400 cm-1Å-1 was obtained from the slope of the fitted function. It has been revealed that the S=O bond length of the DMSO molecule sensitively reflects the intermolecular interactions that it is receiving from its environment.
KW - Bond length-stretching frequency relationship
KW - time-of-flight neutron diffraction
KW - x-ray diffraction
UR - http://www.scopus.com/inward/record.url?scp=85212565117&partnerID=8YFLogxK
U2 - 10.1093/bulcsj/uoae120
DO - 10.1093/bulcsj/uoae120
M3 - Article
AN - SCOPUS:85212565117
SN - 0009-2673
VL - 97
JO - Bulletin of the Chemical Society of Japan
JF - Bulletin of the Chemical Society of Japan
IS - 11
M1 - uoae120
ER -