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1.
Five new complexes of composition [Cu(dpt)Ni(CN) 4] (1) (dpt=dipropylenetriamine), [Cu(dien)Ni(CN) 4]·2H 2O (2) (dien=diethylenetriamine), [Cu( N, N′-dimeen)Ni(CN) 4]·H 2O (3) ( N, N′-dimeen= N, N′-dimethylethylenediamine), [Cu( N, N-dimeen)Ni(CN) 4]·H 2O (4) ( N, N-dimeen= N, N-dimethylethylenediamine) and [Cu(trimeen)Ni(CN) 4] (5) (trimeen= N, N, N′-trimethylethylenediamine) have been obtained by the reactions of the mixture of Cu(ClO 4) 2·6H 2O, appropriate amine and K 2[Ni(CN) 4] in water and have been characterized by IR and UV–Vis spectroscopies and magnetic measurements. The crystal structure of [Cu(dpt)Ni(CN) 4] (1) has been determined by single-crystal X-ray analysis. The structure of 1 consists of a one-dimensional polymeric chain ---Cu(dpt)---NC---Ni(CN) 2---CN---Cu(dpt)--- in which the Cu(II) and Ni(II) atoms are linked by CN groups. The nickel atom is four coordinate with four cyanide-carbon atoms (two cyano groups are terminal and two cyano groups (in cis fashion) are bridged) in a square-planar arrangement and the copper atom is five coordinate with two cyanide-nitrogen and three dpt-nitrogen atoms, in a distorted square-pyramidal arrangement. The temperature dependence of magnetic susceptibility (2–300 K) was measured for compound 1. The magnetic investigation showed the presence of a very weak antiferromagnetic interaction ( J=−0.16 cm −1) between the copper atoms within each chain through the diamagnetic Ni(CN) 4 2− ions. 相似文献
2.
The preparation, spectroscopic characterization and magnetic study of N, N′-bis(substituted-phenyl)oxamidate-bridged nickel(II) dinuclear complexes of formula {[Ni(N 3-mc)] 2(μ-CONC 6H 4-X)}(PF 6) 2 (N 3-mc = 2,4,4-trimethyl-1,5,9-triazacyclo-dodec-1-ene (Me 3-N 3-mc) or 2,4,4,9-tetramethyl-1,5,9-triazacyclododec-1-ene (Me 4-N 3-mc), X = 2-Cl, 4-Cl, 2-OCH 3, 4-OCH 3) are reported. These paramagnetic nickel(II) complexes have been characterized by both one- and two-dimensional (COSY) 1H NMR techniques. The COSY spectrum of 5 has allowed to achieve the assignment of the phenyl protons of the N, N′-diphenyloxamidate. The crystal structures of [Ni(Me 3-N 3-mc)(μ-CONC 6H 4-4-Cl)] 2(PF 6) 2 (6), [Ni(Me 3-N 3-mc)(μ-CONC 6H 4-4-OMe)] 2(PF 6) 2 (8) and [Ni(Me 4-N 3-mc)(μ-CONC 6H 4-2-Cl)] 2(PF 6) 2 (9) have been determined and their magnetic properties have been studied. The value of magnetic coupling between the two nickel(II) ions across the oxamidate bridge [ J = − 37.6 (6), −39.9 (8) and −39.7 cm −1 (9)] is sensitive to the distortion of the coordination sphere of the metal ions and the topology of the molecular bridge. 相似文献
3.
Reactions of CoX 2·6H 2O (X = Cl −, ClO 4−) with bis(3,5-dimethylpyrazolyl)methane (dmpzm) and formic acid, acetic acid, benzoic acid, salicylic acid, maleic acid, or fumaric acid under the presence of KOH solution produced a new family of Co(II)/dmpzm complexes, [Co(dmpzm) 2L]X· nH 2O (1: L = O 2CH, X = Cl, n = 2; 2: L = OAc, X = Cl, n = 3; 3: L = benzoate, X = ClO 4, n = 1/3; 4: L = salicylate, X = ClO 4, n = 1/3) and [Co 2(dmpzm) 4L](ClO 4) 2· nSolv (5: L = maleate, n = 3, Solv = H 2O; 6: L = fumarate, n = 2, Solv = MeOH). These compounds were structurally characterized by elemental analysis, IR spectroscopy, and single-crystal X-ray diffraction. Compounds 1–4 are mononuclear while 5–6 are binuclear. Each cobalt atom of 1–6 is hexacoordinate, with a distorted octahedral CoN 4O 2 coordination geometry incorporating two N, N′-bidentate dmpzm ligands and one O, O′-bidentate carboxylate ligand. There are rich intra- and intermolecular hydrogen bonds in the crystals of 1–6, thereby forming either 2D hydrogen-bonded networks (1 and 2) or 3D hydrogen-bonded networks (3–6). In addition, the thermal behaviors of 1–6 were also investigated. 相似文献
4.
In this article, the phase compositions, thermal, mechanical and transport properties of both the SrCo 0.8Fe 0.2O 3−δ (SCF) and the SrCo 0.8Fe 0.1Sn 0.1O 3−δ (SSCF) ceramic membranes were investigated systematically. As compared with the SCF membrane, the SSCF one had a more promoted thermal shock resistance, which related to its small thermal expansion coefficient between them and an enhanced composite structure for it. For the SCF membrane, a permeation rate of 1.9 × 10 −6 mol cm −2 s −1 was obtained at 1000 °C and under the oxygen partial pressure gradient of PO2 (h)/ PO2 (l) = 0.209 atm/0.012 atm; however, the permeation rate was 2.5 × 10 −6 mol cm −2 s −1 for the SSCF one in the same measuring condition. In addition, both peak values of total electrical conductivity ( σe) for SSCF sample appeared with increasing temperature. The second peak value of σe for SSCF one was regarded as the contribution from its minor phase, which appeared with the mixed conducting behavior resulting from partly Co-dissolving into its lattice. 相似文献
5.
The mononuclear manganese(III) complex of formula [Mn(saloph)(N 3)(CH 3OH)] [saloph= N, N′- o-phenylenebis(salicylidenaminato)] has been synthesized and its crystal structure has been determined by single-crystal X-ray diffraction method. The compound has a 1D hydrogen-bonded extended structure. Both the FT-IR spectrum and the electrospray ionization mass spectrum (ESI-MS) of the title compound have been recorded. The thermogravimetric analysis has also been carried out. Magnetic calculations showed the presence of antiferromagnetic exchange interactions between the manganese(III) ions through hydrogen bonds with J=−4.0 cm −1. 相似文献
6.
A new nitronyl nitroxide NIT2-bithph (1) and its manganese(II) compound [Mn(hfac) 2(IMHBithph)] 2·(NIT2-bithph)(C 6H 14) (2) (hfac = hexafluoroacetylacetonate; NIT2-bithph = 4,4,5,5-tetramethyl-2-(bithiophenal-2-yl)imidazoline-1-oxyl-3-oxide; IMHBithph = 1-hydroxy-2-bithiophenal-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole) have been synthesized and structurally characterized by X-ray diffraction methods. The units of compound 1 were connected as one-dimensional chain by the intermolecular hydrogen bonds which afford an intermolecular antiferromagnetic interaction between nitronyl nitroxide radicals within the chain ( J = −1.89 cm −1). Compound 2 resulting from the reaction of Mn(hfac) 2·2H 2O and NIT2-bithph is dinuclear and includes the reduced amidino-oxide form of NIT2-bithph, it is made up of three parts: a [Mn(hfac) 2(IMHBithph)] 2 dimer unit, an uncoordinated NIT2-bithph radical and a noncoordinated solvent molecule of hexane, the molecule of radical is hydrogen bonded to its reduced form. Two reduced IMHBithph ligands bridge the two manganese(II) ions through their amidino-oxide oxygen atoms resulting in a small intramolecular antiferromagnetic interaction between the manganese ions ( J = −1.55 cm −1). 相似文献
7.
With a hydrothermal technique, a layered titanium phosphate with the formula Ti 2(H 2PO 4)(HPO 4)(PO 4) 2 · 0.5C 6N 2H 16 (denoted TP-J2) has been prepared by treating the Ti/H 3PO 4/H 2O/1-methylpiperazine system directly. The as-synthesized products were characterized by powder X-ray diffraction, CP-MAS solid-state 31P NMR spectroscopy, thermogravimetric and differential thermal analyses (TG-DTA). The structure was solved by single-crystal X-ray diffraction analysis and it presents an extended γ-phase intercalated with organic amine. Crystal data: triclinic, , a = 8.106 (2) Å, b = 8.197 (2) Å, c = 11.658 (2) Å. = 78.32 (3)°, β = 80.85 (3)°, γ = 77.90 (3)°, Z = 2. Additionally, the intercalation behavior of TP-J2 with n-alkyl monoamine ( n = 2, 3, 4, 6, 8, 10 and 12) was investigated. Owing to the strong brønsted base, N, N′-dimethylpiperazine, resides in the interlayer, it presented unusual features of TP-J2 in contrast with that of γ-Tip. 相似文献
8.
The synthesis, crystal structure and magnetic measurements of three new polynuclear tetracarboxylato-bridged copper(II) complexes, i.e. {[Cu 4(phen) 2(μ-O 2CC 2H 5) 8] · (H 2O)} n (1), [Cu 2(μ-O 2CC 6H 4OH) 4(C 7H 7NO) 2] · 6H 2O (2) and [Cu 2(μ-O 2CCH 3) 4(C 7H 7NO) 2] (3) (phen = 1,10-phenanthroline, O 2CC 6H 4OH = 3-hydroxy benzoate, C 7H 7NO = 4-acetylpyridine) are reported. All compounds consist of dinuclear units, in which two Cu(II) ions are bridged by four syn, syn-η 1:η 1:μ carboxylates, showing a paddle-wheel cage type with a square-pyramidal geometry, arranged in different ways. The structure of compound 1 consists of an one-dimensional structure generated by an alternating classical dinuclear paddle-wheel unit and an unusual dinuclear Cu 2(μ-OCOC 2H 5) 2(μ-O 2CC 2H 5) 2(phen) 2unit, which are connected to each other via a syn, anti-triatomic propionato bridge in an axial-equatorial configuration. The adjacent chains are connected to generate a 2D structure through the face-to-face π–π interaction between phen rings. Structures of compounds 2 and 3 both consist of a symmetric dinuclear Cu(II) carboxylate paddle-wheel core and pyridyl nitrogen atoms of 4-acetylpyridine ligand at the apical position, and just differ in the substituents of the equatorial ligands. The magnetic properties have been measured and correlated with the molecular structures. It is found that in the two classical paddle-wheel compounds the Cu(II) ions are strongly antiferromagnetically coupled with J = −278.5 and −287.0 cm−1 for complexes 2 and 3, respectively. In compound 1 the magnetic susceptibility could be fitted with two different, independent Cu(II) units, one strongly coupled and one weakly coupled; the paddle-wheel dinuclear unit has the strongest antiferromagetic coupling with a value for J of −299.5 cm−1, whereas the Cu(II) ions in the propionato-bridged dinuclear unit of 1 display a very weak antiferromagnetic coupling with a value for J = −0.75 cm−1, due to the orthogonality of the magnetic orbitals. Also the exchange within the chain is therefore very weak. The magneto-structural correlations for complexes 1, 2, and 3 are discussed on the basis of the structural parameters and magnetic data for the complexes. 相似文献
9.
A 2 MHz resolution electric-resonance optothermal spectrometer and a microwave-sideband CO 2 laser have been used with microwave-infrared double resonance to investigate high-order torsional couplings in the 10 μm infrared spectrum of 3,3,3-trifluoropropene. Three normal mode vibrations are studied with band origins at 963.4, 980.2 and 1025.2 cm −1. The 963.4 cm −1 band is well characterized by an asymmetric-top Hamiltonian, except for the presence of a weak perturbation for J′ = 7, Ka′ = 2 affecting only the A-symmetry internal-rotor state. Microwave-infrared double resonance is used to study the microwave spectrum of the perturbing or ‘dark’ state. The observed dark-state K-doublet asymmetry splittings and rotational-state selection rules indicate that the perturbing state has five quanta of excitation in the torsional mode (ν 21) built upon the A″ ν 19 fundamental. The precise frequency determined for 5 β 21 of 421(2) cm −1 leads to the first accurate determination of the barrier to CF 3 internal rotation as 641(5) cm −1. In contrast to the 963.4 cm −1 vibration, the 980.2 and 1025.2 cm −1 modes show a large number of J′ and Ka′ perturbations which differentially affect the A and E symmetry internal-rotor states. The magnitude of the perturbation-induced A/E splittings indicate that the perturbing states must have at least four quanta of torsional excitation. The present results suggest that high-order vibrational interactions are important in the vibrational dynamics of molecules at low levels of overall vibrational excitation. 相似文献
10.
A novel heterodinuclear complex formed by the reaction of gadolinium nitrate with Schiff base complex of copper(II) has been synthesized and characterized. Preparation, crystal structure and magnetic properties of the heterodinuclear complex, LCu(Me 2CO)Gd(NO 3) 3, (L=( N, N′-bis(2,3-dihydroxybenzylidene)-1,3-diaminopropane) are reported. The complex is consisting of a deca-coordinated Gd III ion which is bridged to four coordinated Cu II via both phenolate oxygen atoms of the L Schiff base ligand. The average CuGd separation is 3.475(2) Å. There is also one non-coordinating acetone molecule in the crystal structure. The magnetic susceptibility of the complex was measured over the range 4.5–350 K and the observed data were successfully simulated by the equation based on the spin-Hamiltonian operator H=− JS Cu·S Gd. The values of the intrachain interaction parameters have been deduced from the magnetic data: exchange integral J(Cu–Gd)=7.3 cm −1, gCu=2.17, gGd=2.09. This indicates a weak ferromagnetic spin exchange interaction between Cu II and Gd III ions. The nature of the magnetic super-exchange interaction of the title compound is compared with similar Cu IIGd III heterodinuclear complexes. 相似文献
11.
Two new cadmium(II)–terephthalate complexes, ∞1{[Cd2(μ-terephthalate)2(L1)2]·9H2O} (1) and [{Cd(H 2O)(L 2)} 2(μ-terephthalate)](terephthalate) · 10H 2O (2), where L 1 = ( E)- N1, N1-diethyl- N2-(1-(pyridin-2-yl)ethylidene)ethane-1,2-diamine; L 2 = N, N′-bis-(1-pyridin-2-yl-ethylidene)-ethane-1,2-diamine; have been synthesized by a conventional solution method. Characterization by single crystal X-ray crystallography shows that compound 1 is composed of 1-D polymeric zig-zag chains with distorted pentagonal-bipyramidal cadmium centers. Compound 2 consists of centrosymmetric dinuclear complexes with a distorted pentagonal-bipyramidal cadmium center in which one terephthalate ligand bridges the metal centres and another terephthalate anion with water of crystallization forms a H-bonding network. 相似文献
12.
The oxygen permeation properties of mixed-conducting ceramics SrFeCo 0.5O 3−δ (SFCO), Ba 0.5Sr 0.5Co 0.8Fe 0.2O 3−δ (BSCFO), La 0.2Sr 0.8Co 0.8Fe 0.2O 3−δ (LSCFO) and Ba 0.95Ca 0.05Co 0.8Fe 0.2O 3−δ (BCCFO) were studied by thermogravimetric method in the temperature range 600–900 °C. The results show that the oxygen adsorption rate constants ka of all material are larger than oxygen desorption rate constants kd and both ka and kd are not strongly dependent on temperature in the studied temperature range. The oxygen vacancy contents δ(N 2) and δ(O 2) in nitrogen and oxygen and their difference Δ δ = δ(N 2) − δ(O 2) play an important role in determining the temperature behavior of oxygen permeation flux JO2. 相似文献
13.
In the present work temperature dependence of heat capacity of cesium tantalum tungsten oxide has been measured first in the range from 7 to 350 K and then between 330 and 630 K, respectively, by precision adiabatic vacuum and dynamic calorimetry. The experimental data were used to calculate standard thermodynamic functions, namely the heat capacity Cp° ( T), enthalpy H°( T) − H°(0), entropy S°( T) − S°(0) and Gibbs function G°( T) − H°(0), for the range from T → 0 to 630 K. The structure of CsTaWO 6 is refined by the Rietveld method: space group F d3 m, Z = 8, a = 10.3793(2) Å, V = 1118.14(4) Å 3. The high-temperature X-ray diffraction was used for the determination of temperature of phase transition and coefficient of thermal expansion. 相似文献
14.
A series of Ce xPr 1−xO 2−δ mixed oxides were synthesized by a sol–gel method and characterized by Raman, XRD and TPR techniques. The oxidation activity for CO, CH 3OH and CH 4 on these mixed oxides was investigated. When the value x was changed from 1.0 to 0.8, only a cubic phase CeO 2 was observed. The samples were greatly crystallized in the range of the value x from 0.99 to 0.80, which is due to the formation of solid solutions caused by the complete insertion of Pr into the CeO 2 crystal lattices. Raman bands at 465 and 1150 cm −1 in Ce xPr 1−xO 2−δ samples are attributed to the Raman active F 2g mode of CeO 2. The broad band at around 570 cm −1 in the region of 0.3 ≤ x ≤ 0.99 can be linked to oxygen vacancies. The new band at 195 cm −1 may be ascribed to the asymmetric vibration caused by the formation of oxygen vacancies. The TPR profile of Pr 6O 11 shows two reduction peaks and the reduction process is followed: . The reduction temperature of Ce xPr 1−xO 2−δ mixed oxides is lower than those of Pr 6O 11 or CeO 2. TPR results indicate that Ce xPr 1−xO 2−δ mixed oxides have higher redox properties because of the formation of Ce xPr 1−xO 2−δ solid solutions. The presence of the oxygen vacancies favors CO and CH 3OH oxidation, while the activity of CH 4 oxidation is mostly related to reduction temperatures and redox properties. 相似文献
15.
Dialkyl disulfide-linked naphthoquinone, (NQ-C n-S) 2, and anthraquinone, (AQ-C n-S) 2, derivatives with different spacer alkyl chains (C n: n = 2, 6, 12) were synthesized and these quinone derivatives were self-assembled on a gold electrode. The formation of self-assembled monolayers (SAMs) of these derivatives on a gold electrode was confirmed by infrared reflection-absorption spectroscopy (IR-RAS). Electron transfer between the derivatives and the gold electrode was studied by cyclic voltammetry. On the cyclic voltammogram a reversible redox reaction between quinone (Q) and hydroquinone (QH 2) was clearly observed under an aqueous condition. The formal potentials for NQ and AQ derivatives were −0.48 and −0.58 V, respectively, that did not depend on the spacer length. The oxidation and reduction peak currents were strongly dependent on the spacer alkyl chain length. The redox behavior of quinone derivatives depended on the pH condition of the buffer solution. The pH dependence was in agreement with a theoretical value of E1/2 (mV) = E′ − 59pH for 2H +/2e − process in the pH range 3–11. In the range higher than pH 11, the value was estimated with E1/2 (mV) = E′ − 30pH , which may correspond to H +/2e − process. The tunneling barrier coefficients ( β) for NQ and AQ SAMs were determined to be 0.12 and 0.73 per methylene group (CH 2), respectively. Comparison of the structures and the alkyl chain length of quinones derivatives on these electron transfers on the electrode is made. 相似文献
16.
The far infrared spectrum from 370 to 50 cm −1 of gaseous 2-bromoethanol, BrCH 2CH 2OH, was recorded at a resolution of 0.10 cm −1. The fundamental O–H torsion of the more stable gauche ( Gg′) conformer, where the capital G refers to internal rotation around the C–C bond and the lower case g to the internal rotation around the C–O bond, was observed as a series of Q-branch transitions beginning at 340 cm −1. The corresponding O–H torsional modes were observed for two of the other high energy conformers, Tg (285 cm −1) and Tt (234 cm −1). The heavy atom asymmetric torsion (rotation around C–C bond) for the Gg′ conformer has been observed at 140 cm −1. Variable temperature (−63 to −100°C) studies of the infrared spectra (4000–400 cm −1) of the sample dissolved in liquid xenon have been recorded. From these data the enthalpy differences have been determined to be 411±40 cm −1 (4.92±0.48 kJ/mol) for the Gg′/ Tt and 315±40 cm −1 (3.76±0.48 kJ/mol) for the Gg′/ Tg, with the Gg′ conformer the most stable form. Additionally, the infrared spectrum of the gas, and Raman spectrum of the liquid phase are reported. The structural parameters, conformational stabilities, barriers to internal rotation and fundamental frequencies have been obtained from ab initio calculations utilizing different basis sets at the restricted Hartree–Fock or with full electron correlation by the perturbation method to second order. The theoretical results are compared to the experimental results when appropriate. Combining the ab initio calculations with the microwave rotational constants, r0 adjusted parameters have been obtained for the three 2-haloethanols (F, Cl and Br) for the Gg′ conformers. 相似文献
17.
Binuclear complexes [{Cu(NN)(PhNHpy)} 2(μ-OH) 2](PF 6) 2, where NN=2,2′-bipyridine (bipy) or 1,10-phenanthroline (phen), have been synthesized and characterized by chemical analysis, conductance measurements and IR and electronic spectroscopy. The X-ray crystal structure of [{Cu(bipy)(PhNHpy)} 2(μ-OH) 2](PF 6) 2 shows a distorted square-planar pyramidal coordination for Cu(II), defined by two nitrogen atoms of bipy, two bridging oxygen atoms and the pyridinic nitrogen atom of the ligand. Magnetic susceptibility measurements (in the 4.8–290 K range) reveal coupling which is antiferromagnetic for the bipy complex (2 J=−24.2 cm −1) and slightly ferromagnetic for the phen complex (2 J=3.3 cm −1). The EPR spectra show the expected triplet signals. 相似文献
18.
A novel dinuclear complex [Cu 2(μ-L) 4(HL) 2] (1) was isolated from starting 2-pyridone (HL) via a resonance and a tautomeric transformation. Each copper centre is in a square-pyramidal coordination sphere, defined by two oxygen atoms (Cu–O4 1.978(5), Cu–O11 1.964(4) Å) and two nitrogen atoms (Cu–N2 2.003(5), Cu–N3 2.007(5) Å) of four bridging deprotonated pyridin-2-olates and an oxygen atom on the top from a neutral 2-pyridone (Cu–O2 2.227(5) Å), analogous to tetracarboxylate paddle-wheel complexes. Compound 1 was compared with mixed pyridin-2-olato/methanoato analogues [Cu 2(μ-HCO 2) 2(μ-L) 2(HL) 2] · 2CH 3CN (2) and [Cu 2(μ-HCO 2) 2(μ-L) 2(HL) 2] (2a) (2a is an air stable form obtained from 2 outside mother-liquid). The EPR spectra of air stable 1 and 2a show three signals Hz1, H2 and Hz2, typical for the binuclear systems with spin S = 1, both revealing strong antiferromagnetism 2 J = −334 (1) and −324 cm −1 (2a). Interestingly, only for 1 additional H1 signal at 100 mT is noticed ( D(1) = 0.293 cm −1 < hν = 0.320 cm −1 < D(2a) = 0.347 cm −1). On the other hand, several broad signals in the 100–450 mT region, only in the high temperature spectrum for 2a are observed. These results are in agreement with the magnetic susceptibility analysis. 相似文献
19.
The heat capacities and enthalpy increments of strontium bismuth niobate SrBi 2Nb 2O 9 (SBN) and strontium bismuth tantalate SrBi 2Ta 2O 9 (SBT) were measured by the relaxation method (2–150 K), Calvet-type heat-conduction calorimetry (305–570 K) and drop calorimetry (773–1373 K). The temperature dependences of non-transition heat capacities in the form Cpm = 324.47 + 0.06371 T − 5.0755 × 10 6/ T2 J K −1 mol −1 (298–1400 K) and Cpm = 320.22 + 0.06451 T − 4.7001 × 10 6/ T2 J K −1 mol −1 (298–1400 K) were derived for SBN and SBT, respectively, by the least-squares method from the experimental data. Furthermore, the standard molar entropies at 298.15 K Sm°(SBN)=327.15±0.80 and Sm°(SBT)=339.23±0.72 J K−1 mol−1 were evaluated from the low-temperature heat capacity measurements. 相似文献
20.
The main purpose of this paper is to present accurate infrared integrated intensities of liquid toluene, C 6H 5CH 3, at 25 °C. Also presented are the decadic molar absorption coefficients, Em, the real and imaginary dielectric constants, ε′ and ε″, and the real and imaginary molar polarizabilities, ′m and ″m. Integrated intensities were determined as Cj, the area under bands in the spectrum, for all bands between 4800 and 440 cm −1. The contributions from the different bands were separated by fitting the spectrum with classical damped harmonic oscillator bands. The uncertainties in the integrated intensities of most bands are estimated to be 5–10%, with the uncertainties in very weak bands and in shoulders possibly up to 100%. The intensity that should be assigned to the fundamentals is more difficult to estimate due to Fermi resonance with overtone and combination bands, and a best estimate is given. The integrated intensities of the fundamental vibrations and the corresponding transition dipole moments are summarized and are compared with literature values for the gas. 相似文献
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