Partitioned-Formula Periodic Tables for Diamond Hydrocarbons (Diamondoids)
نویسنده
چکیده
Isomeric diamond hydrocarbons (diamondoids or polymantanes) with the same number n of adamantane units share the same molecular formula C(Q)(CH)(T)(CH(2))(S) and can be divided into valence isomers (denoted as Q-T-S) by partitioning the number C = Q + T + S of their carbon atoms according to whether they are quaternary, tertiary, or secondary. Vertices of dualists are the centers of adamantane units, and dualist edges connect vertices of adjacent adamantane units (sharing a chair-shaped hexagon). Dualists of diamondoids are hydrogen-depleted skeletons of staggered alkane or cycloalkane rotamers. Diamondoids with acyclic dualists can be classified as catamantanes, those having dualists with chair-shaped six-membered rings as perimantanes, and those having dualists with higher-membered rings that are not perimeters of hexagon-aggregates as coronamantanes. Diamondoids with n adamantane units may be classified into regular catamantanes when the molecular formula is C(4n+6)H(4n+12), and irregular polymantanes (catamantanes or perimantanes) when the number of carbon atoms is lower than 4n + 6. The derivation is presented of formula-periodic tables of regular and irregular diamondoids that allow a better understanding of the shapes and properties of these hydrocarbons for which many applications are predicted.
منابع مشابه
Isolation and structural proof of the large diamond molecule, cyclohexamantane (C26H30).
In this report, we describe the first isolation and structural verification of the diamondoid cyclohexamantane, C26H30, a material that has probably never previously existed anywhere in crystalline form. Since the diamond surface can terminate in hydrogen,[1] cyclohexamantane may be thought of as a nanometer-sized diamond of approximately 10 21 carats. In fact, the cyclohexamantane structure ha...
متن کاملMolecular Descriptors for Natural Diamondoid Hydrocarbons and Quan- titative Structure-Property Relationships for Their Chromatographic Data
Diamond hydrocarbons (or diamondoids) are hydrocarbons that have a carbon skeleton superimposable on the diamond lattice and contain one or more adamantane units. Recently it was found that many higher diamondoids (containing four to eleven adamantane units) are present in petroleum and can be isolated by a series of methods that include HPLC and GC techniques. We develop QSPR equations using m...
متن کاملDiamondoid Molecules
Diamondoids have been of great interest in recent years due to their role in nanotechnology, drug-delivery and medicine. In this review paper we introduce at first the cage nature of diamondoid molecules (polymantanes, adamantologues), the variety of their crystalline lattice structures, the nature of their structural isomers, their stereoisomers, and their other molecular specificities are pre...
متن کاملPreprint Advances in
Diamondoids have been of great interest in recent years due to their role in nanotechnology, drug-delivery and medicine. In this review paper we introduce at first the cage nature of diamondoid molecules (polymantanes, adamantologues), the variety of their crystalline lattice structures, the nature of their structural isomers, their stereoisomers, and their other molecular specificities are pre...
متن کاملFormula Periodic Tables-Their Construction and Related Symmetries
The algorithmic construction of formula periodic tables for polycyclic conjugated hydrocarbons is detailed. The symmetries associated with this construction are identified. The formula periodic table for benzenoids (Table PAH6) exhibits a one-to-one mapping onto the formula periodic table for fluorenoids/fluoranthenoids minus the constant-isomer fluorenoid/fluoranthenoid formulas and the formul...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Journal of chemical information and modeling
دوره 52 11 شماره
صفحات -
تاریخ انتشار 2012