Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III)

Abraham Michael H.; Acree William E. Jr.; Fucaloro Anthony F.; Zanella Andrew W.

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Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III)

机译：测定Tris（乙酰丙酮）铬（III），三（乙酰丙酮）铁（III）和Tris（乙酰丙酮）钴（III）的摩尔折射和亚伯拉罕描述符

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We have determined molar refractions of tris(acetylacetonato) chromium(III), tris(acetylacetonato) iron(III) and tris(acetylacetonato) cobalt(III). Although the d-electron structures of the three metal centres differ significantly, the three molar refractions are actually quite close to each other. We then used these molar refractions to determine the Abraham E-descriptor, we calculated the V-descriptor by McGowan's method, and then used literature data on solubilities and water-solvent partitions to obtain the rest of the set of descriptors for the three tris(acetylacetonato) complexes. If we take E as the average of those for the chromium, iron and cobalt complexes, we can use limited literature data to obtain the full set of Abraham descriptors for the tris(acetylacetonates) of vanadium(III), yttrium(III), samarium(III), lanthanum(III) and neodymium(III). For the eight complexes, the descriptors vary regularly with complex molecular weight. These show that the complexes are quite polarizable, have zero hydrogen-bond acidity and significant hydrogen bond basicity. From the sets of Abraham descriptors, a very large number of physicochemical properties can be predicted for the eight acetonylacetonates.

机译：我们已经确定了Tris（乙酰丙酮）铬（III），Tris（乙酰丙酮）铁（III）和Tris（乙酰丙酮）钴（III）的摩尔折射。虽然三个金属中心的D-电子结构显着差异，但是三个磨牙折射实际上彼此相邻。然后我们使用这些磨牙折射来确定亚伯拉罕电子描述符，我们计算了McGowan的方法的V-描述符，然后使用了对溶解度和水溶剂分区的文献数据来获得三个TRIS的其余描述符（乙酰丙酮酸盐）复合物。如果我们作为铬，铁和钴复合物的平均值，我们可以使用有限的文献数据来获得钒（III），钇（III），钐（III），钐的TRIS（乙酰丙酮）的全套亚伯拉罕描述符（III），镧（III）和钕（III）。对于八个复合物，描述符通常具有复杂的分子量的定期变化。这些表明复合物是非常可极化的，具有零氢键酸度和显着的氢键碱度。从亚伯拉罕描述符的组中，可以预测八个乙酰丙酮酸盐的大量物理化学性质。

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《New Journal of Chemistry》 |2017年第23期|共7页
作者
Abraham Michael H.; Acree William E. Jr.; Fucaloro Anthony F.; Zanella Andrew W.;
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UCL Dept Chem 20 Gordon St London WC1H 0AJ England;

Univ North Texas Dept Chem 1155 Union Circle Dr 305070 Denton TX 76203 USA;

Claremont McKenna Coll WM Keck Sci Dept 925 N Mills Ave Claremont CA 91711 USA;

Claremont McKenna Coll WM Keck Sci Dept 925 N Mills Ave Claremont CA 91711 USA;

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1. Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III) [J] . Abraham Michael H., Acree William E. Jr., Fucaloro Anthony F., New Journal of Chemistry . 2017,第23期

机译：测定Tris（乙酰丙酮）铬（III），三（乙酰丙酮）铁（III）和Tris（乙酰丙酮）钴（III）的摩尔折射和亚伯拉罕描述符
2. Polynuclear complexation between tris(thenoyltrifluoroacetonato)lanthanoid(III) and tris(acetylacetonato)-chromium(III) or-cobalt (III) [J] . Kameta N., Imura H. 希土類 . 2000,第36期

机译：三（thenoyltrifluoroacetonato）镧系元素（III）和三（乙酰丙酮）铬（III）或钴（III）之间的多核络合
3. Polynuclear complexation between tris(thenoyltrifluoroacetonato)lanthanoid(III) and tris(acetylacetonato)-chromium(III) or-cobalt (III) [J] . Kameta N., Imura H. 希土類 . 2000,第36期

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4. ESTIMATION OF ACTIVITIES IN THE EXTRACTION OF IRON(III) WITH TRI-N-BUTYL PHOSPHATE AND OF COBALT(II) WITH ALIQUAT 336 FROM MAGNESIUM CHLORIDE MEDIA [C] . Ali Azimi, Nevill M. Rice Proceedings of the International Solvent Extraction Conference . 2002

机译：氯化镁介质中磷酸三正丁酯萃取铁（III）以及等离子336萃取钴（II）的活性估算
5. IRON AND RUTHENIUM COMPLEXES POSSESSING UNUSUAL ELECTRONIC PROPERTIES. PART I: SYNTHESIS AND SPIN STATE STUDIES OF GAMMA-SUBSTITUTED TRIS(BETA-DIKETONATO)IRON(III) COMPLEXES AND THEIR BETA-KETOIMINE ANALOGUES DERIVED FROM TRIETHYLENETETRAMINE. PART II: A DIRECT MEASUREMENT OF DYNAMIC SPIN INTERCONVERSION RATES IN THE SPIN EQUILIBRIUM PROTEIN FERRIC MYOGLOBIN HYDROXIDE. PART III: SYNTHESIS, PHOTOEMISSION, AND ELECTROCHEMICAL STUDIES OF. [D] . DOSE, ERIC VON. 1978

机译：铁和钌络合物具有异常的电子特性。第一部分：γ-取代的三（三乙酮）铁（III）配合物及其三乙胺丁胺类似物的β-酮亚胺类似物的合成和自旋态研究。第二部分：纺丝平衡蛋白三水合肌红蛋白中动态纺丝互变速率的直接测量。第三部分：的合成，光生化和电化学研究。
6. Crystal structures of fac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate and fac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs [O] . Joseph S. Merola, Marion A. Franks 2015

机译：fac-三氯代三（三甲基膦-κP）铑（III）一水合物的晶体结构和fac-三氯代三（3-甲基膦-κP）铑（III）甲醇半溶剂化物的铑结构：与铱类似物同型的铑结构
7. Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(iii), tris(acetylacetonato)iron(iii) and tris(acetylacetonato)cobalt(iii) [O] . Michael H. Abraham, William E. Acree, Anthony F. Fucaloro, 2017

机译：测定Tris（乙酰丙酮）铬（III），三（乙酰丙酮）铁（III）和Tris（乙酰丙酮）钴（III）的摩尔折射和亚伯拉罕描述符
8. Cobalt-59 Nuclear Magnetic Resonance Studies of Chloro-, Bromo-, and Iodo-Substituted Tris(acetylacetonato)cobalt(III) Complexes [R] . Busse, S. C. , Abbott, E. H. 1989

机译：氯 - ，溴 - 和碘取代的三（乙酰丙酮）钴（III）配合物的钴-59核磁共振研究

Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III)

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