Download PDF by Jeffrey M. Lemm: Advances in Molecular Structure Research

By Jeffrey M. Lemm

ISBN-10: 0762300256

ISBN-13: 9780762300259

The research of the constitution of molecular platforms is an everlasting quarter of analysis. This sequence is dedicated to bringing jointly articles from top employees within the box that draw jointly contemporary theoretical and experimental effects and advances in knowing.

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A. J. Am. Chem. Soc. 1988, 110, 8029. 27. ; Yamato, M. Tetrahedron 1993, 49, 387. 28. I had noticed this phenomenon soon after I started using molecular mechanics in the mid-1970s [Osawa, E. In Mathematics and Computational Concepts in Chemistry; Trinajstic, N. ; Ellis Horwood: Chichester, 1986, Chapter 21 ], although I learned later that the earliest record of the C1 conformation of GG' n-pentane had already appeared in 1966 [Scott, R. ; Scheraga, H. A. J. Chem. Phys. 1966, 44, 3054]. I long thought that this must be an artifact of molecular mechanics much as I felt for the GG attraction, but neither experimental method nor theoretical alternative to prove this point were available at that time.

The structural flexibility of carbonyl-arene cluster systems can also be exploited to construct heteromolecular crystals in which molecules of similar shape and size but different in chemical composition can be cocrystallized. N/ Fiflure 17. The "key-keyhole" interaction in crystalline Ru6C(CO)11(116-C6H6)(~t3 - 1"1:112:q2-C6H6) and trans-Ru6C(CO)11(116-C6H6)2(compare with Figure 11). C , / Figure lB. The solid state molecular structures of Ru6C(CO)14(q6-C6H4Me2) (a) and trans-Ru6C(CO)]l(Ti6-C6H4Me2)2(b); these two molecules have been observed to form both homo-molecular crystals of each type and an hetero-molecular co-crystal in which they are present simultaneously.

Phys. 1991, 94, 511. 20. Sch~ifer has performed extensive ab initio calculations at higher levels of theory to obtain still larger stabilization energy for the GG interaction (private communication). " Schger, L. J. Mol. Struct. (Theochem) 1993, 284, 235]. 21. A simple ring structure consists of equal numbered of edges (all anti sequence) and corners (GG or G'G' sequence). For an extension of this definition, see Goto, H. Tetrahedron 1992, 48, 7131. 22. The terminology "congestion" has been used for intermolecular crowding between reagent and substrate: Wipke, W.

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