Search Results - "Hinchley, Sarah L."
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Molecular Structures of the Digermanes Me2XGeGeXMe2 (X = Me, Cl, and H): An Ab Initio Study Combined with Experimental Investigation by Raman Spectroscopy and Gas Electron Diffraction
Published in Inorganic chemistry (21-04-2008)“…Ab initio calculations were carried out to investigate the potential-energy surface for internal rotation of the methylated digermanes hexamethyldigermane…”
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Molecular structures of Se(SCH3)2 and Te(SCH3)2 using gas-phase electron diffraction and ab initio and DFT geometry optimisations
Published in Dalton transactions : an international journal of inorganic chemistry (07-10-2005)“…The molecular structures of Se(SCH(3))(2) and Te(SCH(3))(2) were investigated using gas-phase electron diffraction (GED) and ab initio and DFT geometry…”
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Spontaneous Generation of Stable Pnictinyl Radicals from “Jack-in-the-Box” Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1
Published in Journal of the American Chemical Society (19-09-2001)“…The molecular structures of the stable phosphinyl and arsinyl radicals, •PnR2 [Pn = P (2); As (4); R = CH(SiMe3)2], have been determined by gas-phase electron…”
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Combined Experimental Studies and Theoretical Calculations To Yield the Complete Molecular Structure and Vibrational Spectra of (CH3)3GeH
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30-04-2009)“…The molecular structure of trimethylgermane has been determined by gas electron diffraction experiments. Infrared spectra for the gaseous, liquid, and solid…”
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Determination of Sugar Structures in Solution from Residual Dipolar Coupling Constants: Methodology and Application to Methyl β-d-Xylopyranoside
Published in Journal of the American Chemical Society (13-10-2004)“…We have developed methodology for the determination of solution structures of small molecules from residual dipolar coupling constants measured in dilute…”
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Dramatic structural effects of a single hydrogen atom in HNPBu t 3
Published in Inorganic chemistry (06-09-2004)“…The molecular structure of tri-tert-butylphosphine imide has been re-determined using the recently developed DYNAMITE method, which allows all assumptions…”
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An experimental and theoretical study of the molecular structure and vibrational spectra of iodotrimethylsilane (SiIMe3)
Published in Physical chemistry chemical physics : PCCP (28-01-2006)“…The gas-phase molecular structure of iodotrimethylsilane (ITMS) has been determined from electron diffraction data. Infrared and Raman spectra have been…”
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Steric and electronic effects on Si–Ge bond lengths: An experimental and theoretical structural study of Me2Ge(SiCl3)2 and Me3GeSiCl3
Published in Inorganica Chimica Acta (01-03-2007)Get full text
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More user-friendly phosphines? Molecular structure of methylphosphine and its adduct with borane, studied by gas-phase electron diffraction and quantum chemical calculations
Published in Dalton transactions : an international journal of inorganic chemistry (01-01-2008)“…The molecular structures of methylphosphine (CH3PH2) and methylphosphine-borane (CH3PH2.BH3) have been determined from gas-phase electron diffraction data and…”
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Synthesis, Decomposition, and Structural Studies in the Gas Phase and Solid State of N,N-Dimethylaminoxygermane
Published in Inorganic chemistry (12-02-2001)“…N,N-Dimethylaminoxygermane, H3GeONMe2, was prepared by the reaction of H3GeBr with LiONMe2 in dimethyl ether at −96 °C. The identity of H3GeONMe2 was proven by…”
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Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01-05-2005)“…The molecular structure and conformation of 1,1,1,4,4,4-hexachloro-1,4-disilabutane in the gas-phase have been determined by electron diffraction and…”
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Conformational Analysis with Both Experimental and Computational Data for Both Gaseous and Crystalline Phases: Unexpected Interactions in N-Methyldichloroacetamide
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08-01-2004)“…The structure of N-methyldichloroacetamide (MeNHCOCHCl2) has been elucidated in the gaseous and solid states experimentally by gas electron diffraction and…”
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Highly Asymmetric Coordination in Alkenes: Gas-Phase Structures of trans-1,2-Dichloro-1,2-disilylethene and 1-Bromo-1-silylethene
Published in Inorganic chemistry (06-10-2003)“…The molecular structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene have been determined by gas-phase electron diffraction (GED) and ab…”
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Strong Intramolecular Secondary Si⋅⋅⋅N Bonds in Trifluorosilylhydrazines
Published in Chemistry : a European journal (21-06-2004)“…The simple silylhydrazines F3SiN(Me)NMe2 (1), F2Si(N(Me)NMe2)2 (2), and F3SiN(SiMe3)NMe2 (3) have been prepared by reaction of SiF4 with LiN(Me)NMe2 and…”
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Combined Experimental Studies and Theoretical Calculations To Yield the Complete Molecular Structure and Vibrational Spectra of (CH 3 ) 3 GeH
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30-04-2009)Get full text
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Molecular Structures of the Digermanes Me sub(2)XGeGeXMe sub(2) (X = Me, Cl, and H): An Ab Initio Study Combined with Experimental Investigation by Raman Spectroscopy and Gas Electron Diffraction
Published in Inorganic chemistry (21-04-2008)“…Ab initio calculations were carried out to investigate the potential-energy surface for internal rotation of the methylated digermanes hexamethyldigermane Me…”
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The molecular structure of [ In ( P 3 C 2 Bu 2 t ) ] using gas-phase electron diffraction and ab initio and DFT calculations
Published in Journal of organometallic chemistry (01-02-2007)“…The structure of [ In ( P 3 C 2 Bu 2 t ) ] has been determined both experimentally by electron diffraction and theoretically, with recommendations made about…”
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Dramatic Structural Effects of a Single Hydrogen Atom in HNPBut 3
Published in Inorganic chemistry (06-09-2004)“…The molecular structure of tri-tert-butylphosphine imide has been re-determined using the recently developed DYNAMITE method, which allows all assumptions…”
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20
Steric and electronic effects on Si–Ge bond lengths: An experimental and theoretical structural study of Me 2Ge(SiCl 3) 2 and Me 3GeSiCl 3
Published in Inorganica Chimica Acta (2007)“…The Ge–Si bond length in Me 3GeSiCl 3 is overestimated by theoretical methods by at least 2 pm – and the discrepancy increases as the level of theory is…”
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