NMR studies on solution structures of methanol and ethanol saturated with CO2

T. Umecky, T. Takamuku, T. Aida, T. Makino, T. Aizawa, M. Kanakubo

研究成果: Article査読

2 被引用数 (Scopus)

抄録

2H and 17O NMR relaxation times, T 1(2H) and T 1(17O), and 2H NMR chemical shifts, δ(2H), in CO2-saturated CD3OD and C2D5OD solutions were measured at 313.2 K over the pressure range up to ~6 MPa. The rotational correlation times, τ r, of the CD and OD axes within CD3OD and C2D5OD molecules and the CO axis within the CO2 molecule were determined from T 1(2H) and T 1(17O), and the magnetic susceptibility-corrected chemical shifts, δ corr, were derived from δ(2H). The differences in τ r and δ corr observed between the two alcohol systems: τ r and δ corr of OD in C2D5OD, decreased rapidly with increasing CO2 concentration, while those of OD in CD3OD remained almost unchanged at mole fractions of CO2, $$ x-{\text CO-{2}} $$ x C O 2, lower than ~0.25 and then slightly decreased at higher $$ x-{\text CO-{2}} $$ x C O 2. The hydrogen bonding structure in C2D5OD was found to be gradually broken down by CO2 dissolution. On the other hand, in CD3OD, it has been revealed that the hydrogen bonding structure can persist at $$ x-{\text CO-{2}} $$ x C O 2 < ~0.25 but then collapses at higher $$ x-{\text CO-{2}} $$ x C O 2.

本文言語English
ページ(範囲)1539-1549
ページ数11
ジャーナルJournal of Solution Chemistry
43
9-10
DOI
出版ステータスPublished - 2014 10 21
外部発表はい

ASJC Scopus subject areas

  • 生物理学
  • 生化学
  • 分子生物学
  • 物理化学および理論化学

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