Physical Data for, and Theoretical Analysis of, Polyquinanes
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The two 3,7-disubstituted diquinanes 510 and 511 have been investigated by single crystal X-ray diffraction techniques and shown to possess the illustrated W conformation . Nonbonded H----H distances of 1.754(4) and 1.713(3) Å have been measured by low-temperature neutron diffraction experiments for 512 and 513 . At 2.921(4) Å, the distance between the pairs of double bonds in 514 is also quite short .
KeywordsCrystal Structure Data Force Field Calculation Empirical Force Field Central Double Bond Double Quantum Coherence
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