Symmetry of van der Waals molecular shape and melting points of organic compounds

Slovokhotov, Yuri L.; Neretin, Ivan S.; Howard, Judith A. K.

doi:10.1039/b310787f

Cited by 44 publications

(44 citation statements)

References 25 publications

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“…Interestingly, these clusters also are known to exhibit odd-even oscillations in their binding energies [8]. Odd-even oscillations are omnipresent across chemistry including melting point of molecular solids [14], magnetic exchange interactions in metal-clusters [15], packing efficiencies of molecules in self-assembled mono-layers (SAM) [16] and non-linear optical (NLO) properties of D(donor)-bridge-A(acceptor) chromophores [17]. In this article, we critically investigate such odd-even oscillations in various structural and electronic properties of Au-clusters from first principles.…”

Section: Introductionmentioning

confidence: 98%

Odd–even oscillations in structural and optical properties of gold clusters

Nijamudheen¹,

Datta²

2010

Journal of Molecular Structure: THEOCHEM

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Section: Introductionmentioning

confidence: 98%

Odd–even oscillations in structural and optical properties of gold clusters

Nijamudheen¹,

Datta²

2010

Journal of Molecular Structure: THEOCHEM

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“…The van der Waals radii and associated van der Waals surfaces are extensively used for crystal packing and supramolecular interaction analysis, 11 in the search for a better understanding of the physical properties of molecular crystals, such as melting points, 12 magnetic behaviour 13 or electrical conductivity. 14 The important role played by the van der Waals radii in Chemistry 15 and the wide use made of those proposed by Bondi 16,17 are highlighted by over 500 yearly citations to his original publication during the last five years.…”

Section: Introductionmentioning

confidence: 99%

A cartography of the van der Waals territories

Álvarez

2013

Dalton Trans.

1,239

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The distribution of distances from atoms of a particular element E to a probe atom X (oxygen in most cases), both bonded and intermolecular non-bonded contacts, has been analyzed. In general, the distribution is characterized by a maximum at short E···X distances corresponding to chemical bonds, followed by a range of unpopulated distances--the van der Waals gap--and a second maximum at longer distances--the van der Waals peak--superimposed on a random distribution function that roughly follows a d(3) dependence. The analysis of more than five million interatomic "non-bonded" distances has led to the proposal of a consistent set of van der Waals radii for most naturally occurring elements, and its applicability to other element pairs has been tested for a set of more than three million data, all of them compared to over one million bond distances.

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“…Trends observed in the melting and boiling temperatures of selected organic compounds could be rationalized by the concept of ''van der Waals symmetry'' [71] suggested previously by Slovokhotov et al [72] for characterizing quantitatively the shapes of molecules.…”

Section: Various Modelsmentioning

confidence: 98%

The twentieth year in Structural Chemistry

Hargittai

Kovács

2009

Struct Chem

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Twenty years ago our journal Structural Chemistry was founded with the primary purpose of providing a quality venue for reports that present the result of complex studies of chemical and biological systems and in the field of materials science, using diverse physical and computational techniques simultaneously and in a concerted way and that are concerned with the chemical, biological, and physical implications of the findings. A sampler of contributions witnesses the fulfillment of this goal and points justified expectations of a bright future for our publication.Matter is much more complicated than most materialists believe, or even are capable of imagining.What is yet to be discovered about the structure of molecules will contain many surprises. Edward Teller [1] Cover of the first issue of

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Symmetry of van der Waals molecular shape and melting points of organic compounds

Cited by 44 publications

References 25 publications

Odd–even oscillations in structural and optical properties of gold clusters

Odd–even oscillations in structural and optical properties of gold clusters

A cartography of the van der Waals territories

The twentieth year in Structural Chemistry

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