In:
Zeitschrift für Naturforschung B, Walter de Gruyter GmbH, Vol. 47, No. 5 ( 1992-5-1), p. 725-731
Abstract:
The crystal and molecular structure of (P,P′,P″,P‴-tetraphenyl)-1,1,2,2-ethane-tetraphosphinic acid tetraisopropylester has been determined from single-crystal MoKa diffractometer data. The crystals are monoclinic with space group C 2/c, Ζ = 4, a = 2054.5(9), b = 1189.8(5), c = 1800.8(8) pm, β = 110.07(3)°. The structure was solved by direct methods and refined to R = 0.046. A 250 ps-vacuo-trajectory was calculated using the Molecular Dynamics program GROMOS. Structural data and MD results are compared to NMR spectroscopic data. A Karplus-type relation was confirmed for coupling constants 3 J PP .
Type of Medium:
Online Resource
ISSN:
1865-7117
,
0932-0776
DOI:
10.1515/znb-1992-0520
Language:
English
Publisher:
Walter de Gruyter GmbH
Publication Date:
1992
detail.hit.zdb_id:
2078109-X
detail.hit.zdb_id:
124635-5
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