The molecular structure of naphthalene by electron diffraction

Standard molar enthalpies of formation of 1- and 2-cyanonaphthalene

“…No structural data for both compounds have been found in the literature for comparison with our results. Both molecules of cyanonaphthalene isomers are planar like the parent compound [41], and the -CN group remains in the plane of the molecule such as in the case of the benzonitrile [42]. The geometrical parameters obtained for 1-and 2-cyanonaphthalene are similar and agree with the corresponding ones calculated and found in the literature for naphthalene [41], benzonitrile and benzene [43], as shown in figure 4.…”

“…So, from the values of D f H m ðgÞ, at T = 298.15 K, available in the literature [31] for benzene and for benzonitrile, respectively, (82.6 ± 0.7) kJ Á mol À1 and (215.7 ± 2.1) kJ Á mol À1 , the calculated enthalpic increment of the substitution of a nitrile group in a benzene ring is (133.1 ± 2.2) kJ Á mol À1 , which together with the enthalpy of formation of naphthalene, (150.3 ± 1.4) kJ Á mol À1 [31], allows the estimation of the standard molar enthalpies of formation of the 1-and 2-cyanonaphthalene isomers, taking into account the approach represented in figure 3, as D f H m ðgÞ is (283.4 ± 2.6) kJ Á mol À1 , registered in table 10. [41], benzonitrile [42], and benzene [43]. Selected bond lengths (nm) and bond angles (°) are included.…”

Structural and Spectroscopic Properties of 2‐Bromoacetylnaphthalene: Experimental and Computational (DFT) Analysis

“…Unsubstituted naphthalene has four types of bonds distinguished by bond lengths, and similar was found during geometry optimization of BAN (Figure ). All five methods of optimization that were used had the same trend.…”

Charge distributions and chemical effects. XL. Chemical bonds in benzenoid hydrocarbons

“…naphthalene (63), and anthracene (64) and from a neutron diffraction study of phenanthrene (65). The shift vs. charge correlation is generally acceptable.…”