Organosilicon derivatives of phosphorus, arsenic, antimony and bismuth

Armitage, David

doi:10.1002/9780470772447.ch5

Cited by 4 publications

(1 citation statement)

References 181 publications

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“…The F, C F , and Si signals were robust and were not affected by various solvent rinses or by boiling in CH 3 CN or CH 3 OH. Si−P bonds are very weak and unstable in alcoholic solutions, and would not be expected to withstand the reaction conditions …”

Section: Resultsmentioning

confidence: 99%

Reactions of Etched, Single Crystal (111)B-Oriented InP To Produce Functionalized Surfaces with Low Electrical Defect Densities

et al. 1999

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Synthetic routes have been developed that allow attachment of a variety of functional groups to etched, singlecrystal InP surfaces. Benzyl halides, alkyl halides, silyl halides, and esters reacted readily with InP to yield covalently attached overlayers on the semiconductor surface. High-resolution X-ray photoelectron spectroscopy (XPS) revealed that the functionalization chemistry was consistent with the reactivity of surficial hydroxyl groups. Analysis of the XP spectra of the (111)B-oriented (P-rich) face in ultrahigh vacuum revealed signals ascribable to a monolayer of oxidized P atoms on the etched (111)B InP surface. The lack of reactivity of the (111)A-oriented (In-rich) face with these same functionalization reagents is therefore attributed to the difference in the nucleophilicity and acidity of the In and P oxides that are present on the (111)A and (111)B faces, respectively. The coverage of benzylic groups obtained through functionalization of (111)B-oriented InP with benzyl halides was estimated to be 4 × 10 14 cm 2 . This coverage implies that the functionalization can only proceed at alternate surface P atom sites in this system, which is expected from molecular packing considerations of these particular functional groups. Photoluminescence decay measurements were performed to investigate the electrical properties of the etched and modified InP surfaces, and these data indicated that the surface recombination velocity of the functionalized InP surface was ≈10 2 cm s -1 . This low surface recombination velocity implies that <1 electrically active defect is present for every 10 5 atoms on the modified InP surface, indicating that high electrical quality can be maintained while introducing a variety of chemical functionalities onto the (111)B surface of InP.

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Section: Resultsmentioning

confidence: 99%

Reactions of Etched, Single Crystal (111)B-Oriented InP To Produce Functionalized Surfaces with Low Electrical Defect Densities

et al. 1999

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ChemInform Abstract: Organosilicon Derivatives of Phosphorus, Arsenic, Antimony and Bismuth

Armitage¹

1992

ChemInform

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Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints

et al. 2003

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Hybrid energy methods such as QM/MM and ONIOM, that combine different levels of theory into one calculation, have been very successful in describing large systems. Geometry optimization methods can take advantage of the partitioning of these calculations into a region treated at a quantum mechanical (QM) level of theory and the larger, remaining region treated by an inexpensive method such as molecular mechanics (MM). A series of microiterations can be employed to fully optimize the MM region for each optimization step in the QM region. Cartesian coordinates are used for the MM region and are chosen so that the internal coordinates of the QM region remain constant during the microiterations. The coordinates of the MM region are augmented to permit rigid body translation and rotation of the QM region. This is essential if any atoms in the MM region are constrained, but it also improves the efficiency of unconstrained optimizations. Because of the microiterations, special care is needed for the optimization step in the QM region so that the system remains in the same local valley during the course of the optimization. The optimization methodology with microiterations, constraints, and step-size control are illustrated by calculations on bacteriorhodopsin and other systems.

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Organosilicon derivatives of phosphorus, arsenic, antimony and bismuth

Cited by 4 publications

References 181 publications

Reactions of Etched, Single Crystal (111)B-Oriented InP To Produce Functionalized Surfaces with Low Electrical Defect Densities

Reactions of Etched, Single Crystal (111)B-Oriented InP To Produce Functionalized Surfaces with Low Electrical Defect Densities

ChemInform Abstract: Organosilicon Derivatives of Phosphorus, Arsenic, Antimony and Bismuth

Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints

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