2015 Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
* Determination of the tautomeric equilibria of pyridoyl benzoyl β-diketones in the liquid and solid state through the use of deuterium isotope effects on (1)H and (13)C NMR chemical shifts and spin coupling constants.
- The tautomeric equilibria for 2-pyridoyl-, 3-pyridoyl-, and 4-pyridoyl-benzoyl methane have been investigated using deuterium isotope effects on (1)H and (13)C chemical shifts both in the liquid and the solid state. Equilibria are established both in the liquid and the solid state. In addition, in the solution state the 2-bond and 3-bond J((1)H-(13)C) coupling constants have been used to confirm the equilibrium positions. The isotope effects due to deuteriation at the OH position are shown to be superior to chemical shift in determination of equilibrium positions of these almost symmetrical -pyridoyl-benzoyl methanes. The assignments of the NMR spectra are supported by calculations of the chemical shifts at the DFT level. The equilibrium positions are shown to be different in the liquid and the solid state. In the liquid state the 4-pyridoyl derivative is at the B-form (C-1 is OH), whereas the 2-and 3-pyridoyl derivatives are in the A-form. In the solid state all three compounds are on the B-form. The 4-pyridoyl derivative shows unusual deuterium isotope effects in the solid, which are ascribed to a change of the crystal structure of the deuteriated compound.
=>1.〜に慣れて, 2.用いられた, 中古の
Overview of verb use
The verb use has 6 senses (first 3 from tagged texts)
1. (603) use, utilize, utilise, apply, employ -- (put into service; make work or employ for a
particular purpose or for its inherent or natural purpose; "use your head!"; "we only use Spanish at
home"; "I can't use this tool"; "Apply a magnetic field here"; "This thinking was applied to many
projects"; "How do you utilize this tool?"; "I apply this rule to get good results"; "use the
plastic bags to store the food"; "He doesn't know how to use a computer")
2. (12) use, habituate -- (take or consume (regularly or habitually); "She uses drugs rarely")
3. (8) use, expend -- (use up, consume fully; "The legislature expended its time on school
questions")
4. use -- (seek or achieve an end by using to one's advantage; "She uses her influential friends to
get jobs"; "The president's wife used her good connections")
5. practice, apply, use -- (avail oneself to; "apply a principle"; "practice a religion"; "use care
when going down the stairs"; "use your common sense"; "practice non-violent resistance")
6. use -- (habitually do something (use only in the past tense); "She used to call her mother every
week but now she calls only occasionally"; "I used to get sick when I ate in that dining hall";
"They used to vacation in the Bahamas")
Overview of adj used
The adj used has 3 senses (first 3 from tagged texts)
1. (4) used -- (employed in accomplishing something; "the principle of surprise is the most used and
misused of all the principles of war"- H.H.Arnold & I.C.Eaker)
2. (1) exploited, ill-used, put-upon, used, victimized, victimised -- (of persons; taken advantage
of; "after going out of his way to help his friend get the job he felt not appreciated but used")
3. (1) secondhand, used -- (previously used or owned by another; "bought a secondhand (or used)
car")
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