4) An organic compound at 3413 (m), 3236 (m), 2899-3030 (m), 1667 (s), 1634 (s) and 1460 cm-1 (s). Give the having molecular formula C3H7NO shows IR absorption bands probable structure
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- 2. (а) Consider the structure of compound 1 and the spectroscopic data given below. REDRAW compound 1 and assign ALL the spectroscopic data given DIRECTLY ON the molecule you have redrawn: H CH3 CH CH;CH,CH, `CH3 H COMPOUND 1 IR 1720; 1640 and 1595 (two bands) cm ΙΗ ΝMR 8 1.10 (3H, t, J= 7.30 Hz) : 8 1.30 (6H, d, J= 7.50 Hz) 8 1.75 (2H, sextet, J= 7.30 Hz) 8 2.25 (2H, dq, J= 7.30, 1.80 Hz) 8 4.85 (1H, septet, J= 7.50 Hz) 8 5.85 (1H, dt, J = 15.50, 1.80 Hz) 8 7.70 (1H, dt, J= 15.50, 7.30 Hz) [d = doublet; t= triplet; dt = doublet of triplets; dq = doublet of quartets]Suppose that three conformations are proposed for the nonlinear molecule H2O2 (1, 2 , and 3).The infrared absorption spectrum of gaseous H2O2 has bands at 870, 1370, 2869, and 3417 cm-1. The Raman spectrum of the same sample has bands at 877. 1408, 1435, and 3407 cm-1. All bands correspond to fundamental vibrational wavenumbers and you may assume that (i) the 870 and 877 cm-1 bands arise from the same normal mode, and (ii) the 3417 and 3407 cm-1 bands arise from the same normal mode. (a) If H2O2 were linear, how many normal modes of vibration would it have? (b) De termine which of the proposed conformations is inconsistent with the spectroscopic data. Explain your reasoning.A compound with empirical formula Fe2(C5H5)2(CO)4 exhibits carbonyl stretching frequencies at 1780 and 2000 cm³¹. Draw the structure of the compound and assign the v(CO) stretches in the structure.
- 12D.15 At low resolution, the strongest absorption band in the infrared absorption spectrum of 12C¹6O is centred at 2150 cm-¹. Upon closer examination at higher resolution, this band is observed to be split into two sets of closely spaced peaks, one on each side of the centre of the spectrum at 2143.26 cm-¹1. The separation between the peaks immediately to the right and left of the centre is 7.655 cm-¹. Make the harmonic oscillator and rigid rotor approximations and calculate from these data: (a) the vibrational wavenumber of a CO molecule, (b) its molar zero-point vibrational energy, (c) the force constant of the CO bond, (d) the rotational constant B, and (e) the bond length of CO.What is the structure of the unknown? Determine it by analyzing the spectroscopic data given in IR, MS, 1H NMR, 13C NMR (Broadband decoupled with carbon types) and fully substantiate your answer with key supporting data from each spectrum.A 400 MHz 'H NMR spectrum of a mixture of common organic solvents consisting of benzene (CHs) 8 7.37; diethyl ether (C4H100) 8 3.49 and 8 1.22; and dichloromethane (CH;Cl2) 8 5.30 is given below. Estimate the relative proportions (mole %) of the 3 components from the integrals in the spectrum. CH3-CH2-0-CH2-CH3 Cl-CH2-CI benzene diethyl ether dichloromethane 'H NMR Spectrum (400 MHz, CDCl, solution) 3.5 3.4 ppm 1.3 12 ppm 8 ppm Compound Mole % benzene diethyl ether dichloromethane
- A 400 MHz 'H NMR spectrum of a mixture of common organic solvents consisting of benzene (C,H6) 8 7.37; diethyl ether (C4H,1,0) § 3.49 and 8 1.22; and dichloromethane (CH;Clz) 8 5.30 is given below. Estimate the relative proportions (mole %) of the 3 components from the integrals in the spectrum. CH3-CH2-0- CH2-CH3 CI-CH2-CI benzene diethyl ether dichloromethane 'H NMR Spectrum (400 MHz, CDCI, solution) 3.5 3.4 ppm 1.3 1.2 ppm 7 5 3 2 1 ppm Compound Mole % benzene diethyl ether dichoromethaneAccount for the following observations: (a) The 1H NMR spectrum of cyclohexane shows a single peak at room temperature, but when the temperate is lowered significantly the peak starts to broaden and then separates into two. (b) At room temperature, the 19F NMR spectrum of PF5 shows two lines, and even at the lowest experimentally accessible temperatures the spectrum is substantially unchanged. (c) In the 1H NMR spectrum of a casually prepared sample of ethanol a triplet and a quartet are seen. These multiplets show additional splittings if the sample is prepared with the careful exclusion of water.Carbon monoxide [CO] exhibits an IR absorption at 2143cm-1, acetone [CH3C(O)CH3],exhibits an IR absorption for the CO vibration at 1715 cm-1 and ethanol [CH3CH2OH] exhibits an IR absorption for CO at ~1150 cm-1. Draw Lewis structures of these three molecules and use your structures to explain the observed differences in the CO IR absorption peak frequency (nCO).
- The volatile organic compounds (VOCs) produced by decomposing tissue and organs were studied in an effort to identify possib human-specific markers (PLoS ONE 2015 10(9): e0137341.). Of 452 VOCs isolated, six were found to be unique to humans, so th prove to be a useful tool for forensic chemists trying to determine the source of unidentified remains. There are two doublets in expected ¹H NMR spectrum of the following human-specific VOC. Identify the protons giving rise to each doublet. 1 2 H3C H3C- оооооооо 238 H 8 HH HH 3 HH CH3 5 7 Identify the two groups of protons that give rise to the doublets in the spectrum. CH3 8The functional groups in an organic compound can frequently be deduced from its infrared absorption spectrum. A compound containing no nitrogen exhibits strong, broad absorption across the 2500-3300 cm³¹ region, accompanied by 2200 (w) and 1715 (s) cm-¹ bands. Relative absorption intensity: (s)=strong, (m)=medium, (w)=weak. What functional class(es) does the compound belong to? List only classes for which evidence is given here. Attach no significance to evidence not cited explicitly. Do not over-interpret exact absorption band positions. None of your inferences should depend on small differences like 10 to 20 cm³¹. The functional class(es) of this compound is(are) . (Enter letters from the table below, in any order, with no spaces or commas.) a. alkane (List only if no other functional class applies.) b. alkene c. terminal alkyne d. internal alkyne e. arene f. alcohol g. ether h. amine i. aldehyde or ketone j.carboxylic acid k. ester I. nitrile(c) Aqueous solutions of Co2+ salts are pale pink. They contain the complex ion [Co(H₂O)]2+. Addition of concentrated HCl results in a profound colour change to dark blue, due to formation of [CoC14]. The main absorption bands of [Co(H₂O)6]2+ and [CoC14] occur at 19400 cm¹ (~10 M¹ cm') and 14700 cm¹ (~ 1000 M¹ cm¹), respectively. (i) Explain the difference in the transition energies between the two complexes. (ii) Explain why the absorption band of [CoC14]² is much more intense than that of [Co(H2O)%]2+. (d) Calculate the ligand field stabilisation energy of the following complexes: (i) [Mn(H₂O)6]2+ (ii) [Fe(CN)6]³ (iii) [CoC14]²-