On the molecular structure of dicyclopentadienyllead

Almenningen, A.; Haaland, A.; Motzfeldt, Tove

doi:10.1016/s0022-328x(00)90831-3

Cited by 109 publications

(28 citation statements)

References 11 publications

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“…Electron diffraction studies of stannocene [41] and dimethylstannocene [40] show clearly that methyl substitution on the ring has a minor effect on the metal-to-ring bonding. See Table VI.…”

Section: Bonding and Structure In Some Metallocenesmentioning

confidence: 99%

“…Distortion from parallel ligand rings as observed in dimethylgermanocene [40], dimethylstannocene [40], stannocene [41], and plumbocene [41], reduces the molecular symmetry drastically. This implies an increased number of independent structural parameters, and in turn a higher complexity of the structure problem.…”

Section: Bonding and Structure In Some Metallocenesmentioning

confidence: 99%

“…For the case of germanocene the SCF calculations give an optimum metal-ring distance (for D5,, symmetry) that is 0.12 A longer than the experimental one for dimethylgermanocene [40]. Electron diffraction studies of stannocene [41] and dimethylstannocene [40] show clearly that methyl substitution on the ring has a minor effect on the metal-to-ring bonding. See Table VI.…”

Section: Bonding and Structure In Some Metallocenesmentioning

confidence: 99%

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On the interplay between theory and experiment in molecular structure problems: Some case studies

Skancke

1984

Int J of Quantum Chemistry

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Some brief, general comments on the concept of molecular structure will be given. Some important points connected to the use of models in the interpretation of molecular structures will also be mentioned. The main theme in one part of the presentation will be the cooperative efforts made by experimentalists (mainly spectroscopists) and theoreticians (computational chemists) in order to measure, predict, and analyze the perturbations on the cyclopropane ring by different substituents.The aim is to demonstrate that ab initio calculations of a certain quality can constitute an important support for experimental studies in that they are able to discriminate between different models that otherwise are equally probable. The second part of the presentation will be concerned with a class of molecules that gives both experimental structural chemists and computational chemists a great challenge, namely, the metallocenes. A discussion of some of the grave discrepancies between theory and experiment regarding their geometry wil1 be given.

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Section: Bonding and Structure In Some Metallocenesmentioning

confidence: 99%

Section: Bonding and Structure In Some Metallocenesmentioning

confidence: 99%

Section: Bonding and Structure In Some Metallocenesmentioning

confidence: 99%

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On the interplay between theory and experiment in molecular structure problems: Some case studies

Skancke

1984

Int J of Quantum Chemistry

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“…In each of these isotopes the spin number (I) of the nucleus is one half; thus there are no quadrupole moments 7 .…”

Section: Nuclear Magnetic Resonancementioning

confidence: 99%

Tin

ABEL¹

1973

The Chemistry of Germanium

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THE ELEMENT HISTORICALIn the book of Numbers in the Bible's Old Testament, tin is mentioned as a metal of value under the name bedil. The ancient Indian author Veda refers to tin as trapu. Objects made of tin have been found in the tombs of ancient Egypt 1 , and the tin-copper alloy bronze has been used from ancient times. Caesar, recording the presence of tin in Britain, referred to it as plumbum album as also did Pliny, to distinguish it from lead, which was plumbum nigrum. Up to the 12th century A.D., the tin deposits of Cornwall were the only large European source of tin 2 . Subsequently the mines of Saxony and Bohemia became important.Nowadays, however, the Continent of Europe is almost entirely dependent upon imported ores. OCCURRENCE AND DISTRIBUTIONTin is found in nature almost exclusively as the tin(IV) oxide known as cassiterite or tinstone. Small quantities of stannite, Cu2S.FeS.SnS2, are known, and occasionally small amounts of tin metal are found in nature along with gold.Cassiterite is found as primary deposits interspersed in other rocks particularly as "reef-tin" in granite, or alternatively in secondary deposits as "stream-tin", mixed with large quantities of clay and sand.Principal suppliers of tin are Malaysia, Bolivia, Indonesia, Congo, Siam and Nigeria. Further important deposits are worked in China, Australia, Rhodesia, South Africa, Alaska, United States, Chile and the United Kingdom.Tin is estimated to be present in the earth's crust as 4 χ 10 -3 % by weight, and to be in sea water at a concentration of 0-003 g/ton. EXTRACTIONDespite the 78-6% of tin in pure SnÜ2, the tin ores for extraction of the metal often contain only a few per cent of tin. Initial concentration is carried out by flotation removal of lighter rocks, such as silica, and magnetic removal of certain impurities such as tungsten minerals. Roasting volatilizes sulphur and arsenic and oxidizes many metals 1

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“…ferrocene Fe(Cp) 2 (Eiland & Pepinsky, 1952), p-block elements, e.g. PbCp2 (Jutzi, 1990a,b;Grenz, Hahn, du Mont & Pickard, 1984;Almenningen, Haaland & Motzfeldt, 1967;Panattoni, Bombieri & Croatto, 1966), s-block metals, e.g. CaCp2 (Hanusa, 1993;Zerger & Stucky, 1974), as well as with lanthanides (Hanusa, 1993;Evans, Hughes & Hanusa, 1984).…”

Section: Introductionmentioning

confidence: 99%

Ab Initio Structure Determination of Two Polymorphs of Cyclopentadienylrubidium in a Single Powder Pattern

Dinnebiér¹,

Olbrich²,

Smaalen³

et al. 1997

Acta Crystallogr Sect B

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The structures of two polymorphic phases of solid RbC5H5 have been solved ab initio by high-resolution powder X-ray diffraction measured in a single powder pattern. The compound crystallizes in space group Pbcm (phase I), Z = 8, with unit-cell parameters a = 9.3396 (1), b = 10.9666 (1), c = 10.5490 (1) Å, and in space group Pnma, Z = 4 (phase II), with unit- cell parameters a = 10.7990 (2), b = 8.6923 (2), c = 5.7061 (2) Å. Both phases show polymeric zigzag chains, so-called bent-polydecker sandwich structures, with an. average Rb—Cpz (Cp-ring-centroid) distance of 2.97 Å. Phase II contains a single chain along the a axis, whereas phase I contains two similar but crystallographically independent chains perpendicular to each other along the b axis and along the c axis, leading to a more complex coordination sphere around the Rb atoms. The chains are bent with Cpz—Rb—Cpz angles ranging from 123.5 to 136.5°.

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On the molecular structure of dicyclopentadienyllead

Cited by 109 publications

References 11 publications

On the interplay between theory and experiment in molecular structure problems: Some case studies

On the interplay between theory and experiment in molecular structure problems: Some case studies

Tin

Ab Initio Structure Determination of Two Polymorphs of Cyclopentadienylrubidium in a Single Powder Pattern

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