Topological ring-currents and bond-currents in the altan-[r,s]-coronenes.
نویسندگان
چکیده
π-Electron ring-currents for the altans of the four regular [r,s]-coronenes are calculated by the topological HLPM approach. The bond-current pattern of the parent structure is generally preserved in the core of the corresponding altan. Altan-[10,5]-coronene appears to support an anomalous diamagnetic current in its [4n]-periphery. This invites further investigation.
منابع مشابه
Comparisons of π-Electron Ring-Current and Bond-Current Patterns Calculated by Topological (‘HLPM’) and Ab Initio (‘Ipso-Centric’) Formalisms for Two Isomeric Conjugated Hydrocarbons, Corazulene and Cornaphthalene
The π-electron ring-currents and bond-currents associated with the isomeric structures corazulene (1) and cornaphthalene (2) are calculated by means of the rudimentary topological Hückel–London–Pople–McWeeny (HLPM) method (which is entirely equivalent to the recently named ‘graph-theoretical CD–HL’ approach).These currents are compared with analogous quantities computed by Lillington et al. by ...
متن کاملThe study of effective stress and pore water pressures in the foundation of a concrete gravity platform affected by loads due to waves, currents and wind in the Persian Gulf
It is proposed to use a single base platform in the Persian Gulf considering its low depth and more appropriate environmental conditions in comparison to North Sea and Mexico Gulf where this kind of platform is very popular. The pile of platform is responsible for transmission of environmental loads resulted from waves, currents, wind and dead loads to foundation of platform. Using SACS 5.3 sof...
متن کاملTheoretical insight of substituent effect in para substituted Fe(CO)4–pyridine complexes
Abstract: Systematic studies on the substituent effect in para substituted Fe(CO)4–pyridine complexes have been studied on the basis of DFT quantum-chemical calculations. The following substituents were taken into consideration: NO2, CN, CHO, F, H, CH3, and OH. Additionally, the Fe–N and Fe–C bonds were characterized on the basis of Atoms in Molecules topological analysis of electron density. I...
متن کاملAltan derivatives of a graph
Altan derivatives of polycyclic conjugated hydrocarbons were recently introduced and studied in theoretical organic chemistry. We now provide a generalization of the altan concept, applicable to any graph. Several earlier noticed topological properties of altan derivatives of polycyclic conjugated hydrocarbons are shown to be the properties of all altan derivatives of all graphs. Among these ar...
متن کاملInvestigation of Geostrophic and Ekman Surface Current Using Satellite Altimetry Observations and Surface Wind in Persian Gulf and Oman Sea
The rise of satellite altimetry is a revolution in the ocean sciences. Due to its global coverage and its high resolution, altimetry classically outperforms in situ water level measurement. Ekman and geostrophic currents are large parts of the ocean’s current, playing a vital role in global climate variations. According to the classic oceanography, Ekman and geostrophic currents can be calculat...
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:
- Chemical communications
دوره 51 10 شماره
صفحات -
تاریخ انتشار 2015