Experimental and theoretical Raman analysis of functionalized diamantane

Abstract

Diamantane functionalized with amino, hydroxyl and thiol groups has been analyzed by Raman spectroscopy. The peaks in the spectra were assigned by supporting density functional theory computations. Two fingerprint regions for a fast determination of functionalization type and site were identified. With their help we can distinguish two different sites of the functional group. Functionalization in the 1-position leads to Raman activation and splitting of degenerate vibrational modes and hence to a more complex Raman spectrum and strong shifts of several modes. Small shifts of the same modes, on the other hand, indicate functionalization in the 4-position. We observe an anomaly in the mass dependence of the functional group, which we assign to the influence of the electronegativity on the vibrational frequency. Additionally, we can distinguish between the functional groups by the characteristic bands of the stretch vibration.

Size and shape dependent photoluminescence and excited state decay rates of diamondoids

“…[1][2][3][4] Such systems are promising candidates for tuning of optical properties, [5][6][7] with a variety of applications ranging from molecular building blocks for optoelectronics to biocompatible, photostable biomarkers. [8][9][10][11][12][13][14][15] In particular, the observation of photoluminescence (PL) in reduced-dimensional semiconductor systems, which otherwise exhibit an indirect band gap, like Si and C (diamond), opens possibilities to tailor their optical properties and to interface with already existing technologies. [2][3][4] However, despite numerous studies, [2][3][4]16,17 the fundamental photophysical processes in such systems still are not fully understood.…”

Exploring covalently bonded diamondoid particles with valence photoelectron spectroscopy

“…In addition, functionalization of these particles presents another possibility to tune their electronic structure. [5][6][7][8] Apart from the exploration of their existence in crude oil, 9 continuous improvements in the field of synthesis of diamondoids 4 have led to a rise in their popularity during the last ten years. Diamondoids are of interest for the oil industry [10][11][12] and environmental protection, 13 and are also used for medicinal applications, 14 among others.…”

Nanotechnology of diamondoids for the fabrication of nanostructured systems

“…By investigating the C-C-C bending or C-C stretching mode in the low-frequency region of the spectra, differentiation of the geometric properties of diamondoids has become possible and more assessable. The distinctive vibration modes also provide the necessary knowledge for further exploring the vibrational properties of different diamondoid derivatives [57,[72][73][74] and dimers [75,76].…”