A method for the calculation of the hyper–Wiener index (WW ) of a benzenoid system B is described, based on its elementary cuts. A pair of elementary cuts partitions the vertices of B into four fragments, possessing nrs , r, s = 1, 2 vertices. WW is equal to the sum of terms of the form n11 n22 + n12 n21 . The applicability of the method is illustrated by deducing a general expression for WW of...

In this paper, the infra-red absorption spectra of a number of crystalline natural estrogens are presented and considered in relation to chemical structure. As a group, the natural estrogens are distinguished chemically from other steroids by the benzenoid structure of Ring A, which gives rise to certain infra-red absorption bands by which their spectra may be differentiated from those of other...

An explicit combinatorial expression is obtained for the Zhang-Zhang polynomial (also known as “Clar cover polynomial”) of a large class of pericondensed benzenoid systems, the multiple linear hexagonal chains Mn,m. By means of this result, various problems encountered in the Clar theory of Mn,m are also resolved: counting of Clar and Kekulé structures, determining the Clar number, and calculat...

In 1972 Erich Clar formulated his aromatic π-sextet rule that allows discussing qualitatively the aromatic character of benzenoid species. Now, 40 years later, Clar's aromatic π-sextet rule is still a source of inspiration for many chemists. This simple rule has been validated both experimentally and theoretically. In this review, we select some particular examples to highlight the achievement ...

Hydrodistilled essential oil of the aerial parts of Laggera crispata (Vahl) Hepper & Wood, collected from the Kumaon region of the western Himalayas was analysed by gas chromatography and gas chromatography–mass spectrometry. Eighty constituents, accounting for 83.9 % of the total oil composition, were identified. The oil was mainly dominated by sesquiterpenoids (45.3 %) and benzenoid compounds...

Floral scent is important to plant reproduction because it attracts pollinators to the sexual organs. Therefore, volatile emission is usually tuned to the foraging activity of the pollinators. In Petunia hybrida, volatile benzenoids determine the floral aroma. Although the pathways for benzenoid biosynthesis have been characterized, the enzymes involved are less well understood. How production ...