新试剂N-壬基-N′-(氨基对苯磺酸钠)硫脲(NPT)与钯(Ⅱ)显色反应的研究和应用

研究新合成的水溶性光度试剂Ｎ－壬基－Ｎ′－（氨基对苯磺酸钠）硫脲（ＮＰＴ）与钯（Ⅱ）的显色反应，结果表明，在ｐＨ５．８～６．６的ＨＡｃ－ＮａＡｃ缓冲体系中，Ｐｄ２＋与ＮＰＴ形成１４的黄色水溶性配合后物，ＣＴＭＡＢ对反应有明显的增敏作用，配合物的最大吸收波长位于２９７．６ｎｍ，表观摩尔吸光系数ε２９７．６＝１．２７×１０５Ｌｍｏｌ－１ｃｍ－１，钯含量在２～１１．２μｇ／２５ｍＬ范围内服从比尔定律，５０种离子不干扰测定，其灵敏度和选择性是目前测钯（Ⅱ）的最好的试剂之一。该法用于阳极泥和催化剂中钯的测定，均获满意结果。     

新试剂2-(4-安替比林偶氮)-5-二乙氨基苯胺与钯显色反应的研究及应用

在ｐＨ＝５．０ＨＡｃ－ＮａＡｃ缓冲介质中,吐温－８０存在下,２－（４－安替比林偶氮）－５－二乙氨基苯胺（ＡＤＥＡ）与钯生成２∶１红色络合物,λｍａｘ＝５３０ｎｍ,ε＝６．１５×１０４Ｌ·ｍｏｌ－１·ｃｍ－１,钯的含量在０—２０μｇ／２５ｍＬ内符合比耳定律,本方法用于钯催化剂中痕量钯的测定,结果令人满意。     

新试剂N—壬基—N‘—（氨基对苯磺酸钠）硫脲（NPT）与钯（Ⅱ）显色？…

研究新合成的水溶性光度试剂Ｎ－壬基－Ｎ‘－（氨基对苯磺酸钠）硫脲与钯的显色反应。结果表明，在ｐＨ５．８－６．６的ＨＡｃ－ＮａＡｃ缓冲体系中，Ｐｄ＾２＋与ＮＴＰ形成１：４的黄色水溶性配合后物，ＣＴＭＡＢ对反应有明显的增敏作用，配合物的最大吸收波长位于２９７．６ｎｍ，表面摩尔吸光系数ε２９７．６＝１．２７×１０＾５Ｌ．ｍｏｌ＾－１ｃｍ＾－１，钯含量在２－１１．２μｇ／２５ｍＬ范围内服从比尔定律，５０种     

新试剂2—（4—安替比林偶氮）—5—二乙氨基本胺与钯显色反应的研究及应用

在ｐＨ＝５．０ＨＡｃ－ＮａＡｃ缓冲介质中,吐温－８０存在下,２－（４－安替比林偶氮）－５－二乙氨基苯胺（ＡＤＥＡ）与钯生成２：１红色络合物,λｍａｘ＝５３０ｎｍ,δ－６．１５×１０＾５Ｌ．ｍｏｌ＾－１．ｃｍ＾－１,钯的含量在０－２０μｇ／２５ｍＬ内符合比耳定律,本方法用于钯催化剂中痕量钯的测定,结果令人满意。     

分光光度法测定烟叶中镁的研究

在ｐＨ＝ ７．０ ＮＨ４Ａｃ 缓冲介质中,苦氨酸偶氮－Ｈ－酸（ＰＨＡ）与镁反应生成２∶１ 蓝紫色络合物,λｍ ａｘ＝６３０ｎｍ ,ε＝ １．１６×１０４Ｌ·ｍ ｏｌ－ １·ｃｍ － １,镁的含量在０．５－ ４０μｇ／２５ｍ Ｌ内符合比尔定律,本方法用于烟草样品中镁的测定,结果令人满意。     

新型显色剂2-(H-酸偶氮)-4,5-二硝基苯酚测定铁(Ⅲ)

本文研究了新试剂２－（Ｈ－酸偶氮）－４,５－二硝基苯酚与铁的显色反应,在ＰＨ５．３的ＮａＡｃ－ＨＡｃ缓冲介质中,ＨＡＤＮＰ与Ｆｅ（Ⅲ）生成３：１稳定紫色配合物,λｍａｘ＝５９０ｎｍ,ε＝１．７０＊１０＾４Ｌ．ｍｏｌ＾－１．ｃｍ＾－１,铁含量在０－１．０ｍｇ／Ｌ范围内符合比耳定律,该法用于自来水样中总铁的测定,结果令人满意。     

析相光度法测定铁(Ⅲ)的研究

本研究了铁（Ⅲ）－ＰＥＧ（聚乙二醇－２０００）－铬锖Ｒ－Ｎａ２ＳＯ４体系的上光度法并应用于测定Ｆｅ（Ⅲ）。最适酸并为４．５￣６．５（ＮａＡｃ－ＨＡｃ）缓冲溶液,其络合物的最大吸收位于５６０ｎｍ,表观摩尔吸光系数为５．３６×１０＾４Ｌ·ｍｏｌ＾－１·ｃｍ＾－１,Ｆｅ（Ⅲ）浓度在０￣４μｇ范围内服从比尔定律,铁与铬菁Ｒ形成组成为１：２的稳定络合物。该方法用于蔡叶中铁的测定,获得了满意的结果。     

聚乙二醇-钍试剂-硫酸钠体系中非有机溶剂萃取光度法测定铁

本文研究了铁（Ⅲ）－ＰＥＧ（聚乙二醇－２０００）－钍试剂－Ｎａ２ＳＯ４体系的析相光度法并应用于测定Ｆｅ（Ⅲ），最适酸度为４．６（ＮａＡｃ－ＨＡｃ）缓冲溶液，其络合物的最大吸收位于５６６ｎｍ，表观摩尔吸光系数为８．０６×１０３Ｌ·ｍｏｌ－１·ｃｍ－１。Ｆｅ（Ⅲ）浓度在０—３０μｇ·ｍＬ－１范围内服从比耳定律，该方法用于发样中铁的测定，获得了满意结果     

新试剂1-(2-羟基苯基)-3-[4-(苯基偶氮)苯基]-三氮烯的合成及与溴化十六烷基三甲铵的显色反应

合成了新试剂１－（２－羟基苯基）－３－［４－（苯基偶氮）苯基］－三氮烯（ＨＰＡＰＴ）,在氢氧化钠碱性介质中,该试剂与溴化十六烷基三甲铵（ＣＴＭＡＢ）形成１∶３的紫红色离子缔合物。λｍａｘ位于５６５ｎｍ,表观摩尔吸光系数为１．５９×１０４Ｌ·ｍｏｌ－１·ｃｍ－１,ＣＴＭＡＢ含量在３—２９．１６ｍｇ·Ｌ－１范围内符合比耳定律。测定了显色体系ＣＴＭＡＢ的临界胶束浓度是１．５０×１０－４ｍｏｌ·Ｌ－１。     

新显色剂4,4′-二(2,6-二溴-4-硝基苯基重氮氨基)联苯与汞显色反应的研究

本文研究了新显色剂４，４′－二（２，６－二溴－４－硝基苯基重氮氨基）联苯与Ｈｇ（Ⅱ）的显色反应，在表面活性剂ＴｒｉｔｏｎＸ－１００的存在下，于ｐＨ８．８的Ｎａ２Ｂ４Ｏ７－ＨＣｌ缓冲溶液中，试剂与Ｈｇ（Ⅱ）形成２∶２橙红色配合物，其最大吸收峰位于４９０ｎｍ，表观摩尔吸光系数为７．６２×１０４Ｌ·ｍｏｌ－１·ｃｍ－１。Ｈｇ（Ⅱ）量在０－１２μｇ／２５ｍＬ范围内符合比耳定律。方法用于废水中微量Ｈｇ（Ⅱ）的测定，结果满意。     

Theoretical Study of the Collision-Induced Double Transition CO(2) (nu(3) = 1) + N(2) (nu(1) = 1) <-- CO(2) (nu(3) = 0) + N(2) (nu(1) = 0) at 296 K

A procedure is presented for the calculation of the double vibrational collision-induced absorption CO(2) (nu(3) = 1) + N(2) (nu(1) = 1) <-- CO(2) (nu(3) = 0) + N(2) (nu(1) = 0) on the basis of quantum lineshapes computed using an isotropic potential and dipole-induced dipole functions. The linestrengths and energies of the vibration-rotation transitions are treated explicitly for N(2), utilizing the HITRAN database for CO(2). The theoretical absorption profile is compared to recent experimental results. By narrowing the width of the individual lines contributing to the overall absorption profile relative to their values determined for N(2)-N(2) collision-induced absorption, excellent agreement between theory and experiment is obtained. Copyright 2000 Academic Press.     

First Observation of the nu(17)-nu(4) Difference Bands of Diborane (10)B(2)H(6) and (11)B(2)H(6)

An analysis of the nu(17)-nu(4) difference bands near 800 cm(-1) of two isotopic species, (10)B(2)H(6) and (11)B(2)H(6), of diborane has been carried out using infrared spectra recorded with a resolution of ca. 0.003 cm(-1). In addition, the nu(17) band of (10)B(2)H(6) has been recorded and assigned. Since this band in (11)B(2)H(6) had already been studied (R. L. Sams, T. A. Blake, S. W. Sharpe, J.-M. Flaud, and W. J. Lafferty, J. Mol. Spectrosc. 191, 331-342 (1998)), it was possible to derive precise energy levels and Hamiltonian constants for the 4(1) vibrational states of both isotopic species. Copyright 2000 Academic Press.     

The 2(3)Delta(g) State of (7)Li(2)

Using pulsed perturbation-facilitated optical-optical double resonance (PFOODR) spectroscopy, the 2(3)Delta(g) state of (7)Li(2) (electronic configuration (varsigma(g)2s) (4ddelta(g)), effective principal quantum number n* = 4.101) has been observed and assigned. Molecular constants and a RKR potential energy curve were obtained. The major molecular constants are Copyright 2000 Academic Press.     

The Perturbation between the G(1)Pi(g) and 2(1)Delta(g) States of (7)Li(2)

We have observed the rotational levels in the v = 2, 3, 5, 6, 7, and 8 vibrational manifolds of the 2(1)Delta(g) state of (7)Li(2) via the A(1)Sigma(+)(u) intermediate levels by DeltaLambda = 2 transitions. This violation of the DeltaLambda = 0, +/-1 selection rule is due to the interaction with the G(1)Pi(g) state. Band-by-band deperturbations of the G(1)Pi(g) approximately 2(1)Delta(g) (v(Pi), v(Delta)) = (11, 2), (12, 3), (15, 5), (16, 6), (18, 7), and (19, 8) bands have been performed. Deperturbed molecular constants and rotational-electronic interaction parameters are reported here. Copyright 2000 Academic Press.     

Rovibrational Intensities of the (00(0)3) <-- (10(0)0) Dyad Absorption Bands of (12)C(16)O(2)

Absolute line intensities of (12)C(16)O(2) are experimentally measured for the first time for the (00(0)3)(I) <-- (10(0)0)(II) band at 5687.17 cm(-1) and the (00(0)3)(I) <-- (10(0)0)(I) band at 5584.39 cm(-1). The spectra were obtained using a Bomem DA8 Fourier transform spectrometer and a 25-m base-path White cell at NASA-Ames Research Center. The rotationless bandstrengths at a temperature of 296 K and the Herman-Wallis parameters are S(0)(vib) = 6.68(30) x 10(-25) cm(-1)/(molecule/cm(2)); A(1) = 1.4(9) x 10(-4), and A(2) = -1.1(5) x 10(-5) for the (00(0)3)(I) <-- (10(0)0)(II) band and S(0)(vib) = 6.07(22) x 10(-25) cm(-1)/(molecule/cm(2)); A(1) = 5.2(1.5) x 10(-4) and A(2) = -4.0(7) x 10(-5) for the (00(0)3)(I) <-- (10(0)0)(I) band.     

The v(1)+v(3) Bands of the (16)O(17)O(16)O and (16)O(16)O(17)O Isotopomers of Ozone

Using 0.002 cm(-1) resolution Fourier transform absorption spectra of an (17)O enriched ozone sample, an extensive analysis of the v(1)+v(3) bands of the (16)O(17)O(16)O and (16)O(16)O(17)O isotopomers of ozone has been performed for the first time. The experimental rotational levels of the (101) vibrational states were satisfactorily reproduced using a Hamiltonian matrix that takes into account the observed rovibrational resonances. More precisely, for (16)O(17)O(16)O, as for the other C(2v)-type ozone isotopomers, it was necessary to account for the Coriolis type resonances linking the (101) rotational levels with the levels of the (200) and (002) vibrational states and the Darling-Dennison interaction coupling the levels of (200) with those of (002). For the C(s)-type isotopomer, namely (16)O(16)O(17)O, as for (16)O(16)O(18)O and (16)O(18)O(18)O, it proved necessary to also account for an additional DeltaK(a)&equals+/-2 resonance involving the rotational levels from (101) and (002) (J.-M. Flaud and R. Bacis, Spectrochimica Acta Part A 54, 3-16 (1998)). Using a Hamiltonian matrix which takes these resonances explicitly into account, precise vibrational energies and rotational and coupling constants were deduced, leading to the following band centers: v(0)(v(1)+v(3))=2078.3496 cm(-1) for (16)O(17)O(16)O and v(0)(v(1)+v(3))=2098.8631 cm(-1) for (16)O(16)O(17)O. Copyright 2001 Academic Press.     

CO2同位素分子16O12C16O, 16O12C17O, 16O13C17O配分函数研究

本文主要研究了CO2的三种同位素分子16O12C16O , 16O12C17O ,16O13C17O 70 K~6000 K的总内配分函数 (TIPS)。在总内配分函数的计算中, 转动配分函数的计算采用了McDowell的解析式法, 振动配分函数则采用了简谐振动近似(HOA)获得。最后通过将两配分函数乘积近似计算得出TIPS, 并将其70~3000 K的数据和HITRAN04数据进行了比较, 发现所得结果和数据库符合的较好, 且其误差可以近似看成一条直线。并通过对误差的拟合修订了高温区(3000~6000 K)的计算数据, 给出了在高温下的较为准确的TIPS值。     

Torsional Splitting in the nu(5) Fundamental Infrared Band of CH(3)CD(3) and (13)CH(3)CD(3)

The nu(5) fundamental (C-C stretching) of CH(3)CD(3) shows a resolved torsional structure, caused by perturbations due mainly to the linear dependence of the torsional potential barrier on the normal coordinate Q(5). We were able to analyze this structure and to assign vibration-rotation transition wavenumbers for all five torsional components, classified according to the symmetry species of the G(18)((3)) extended molecular group. The torsional splitting pattern is qualitatively similar to that of a nondegenerate vibrational state with an even number of excited torsional quanta v(6). Explorative calculations show that the main perturber system should consist of the torsional components of the vibrational ground state correlating with v(6)=4 in the high barrier limit. The strength of the perturbation on the E(r0) torsional components of nu(5) increases rapidly with r, the E(40) component being the most affected. The observed transition wavenumbers can be reasonably fitted by a simplified model containing independent effective vibration-rotation parameters for the five different torsional components of nu(5), for both CH(3)CD(3) and (13)CH(3)CD(3). The trend of the determined values of the effective vibrational wavenumbers and rotational parameters over the torsional components supports the proposed vibration-torsion interaction mechanism, responsible for the observed torsional splittings. A strong anomaly observed in the rotational intensity distribution of nu(5) is discussed. Copyright 2001 Academic Press.