Author: Jacob Peter Schlegel
Publisher:
ISBN:
Category :
Languages : en
Pages : 130
Book Description
Two systems were studied using either a pump-probe spectroscopic technique or a density functional theory computational method. Ultrafast time-resolved infrared spectroscopy has been used to investigate the reactivity of V(CO)5, a doublet species, with silicon-hydrogen and carbon-hydrogen bonds. Using a ultraviolet pump pulse, a carbonyl was dissociated from V(CO)6 while dissolved in triethylsilane; subsequently, a broad bandwidth infrared pulse interrogated the system. On timescales less than 1 ns, vanadium pentacarbonyl does not appear to react. The second study used the Growing String Method incorporating density functional theory to examine the possible reaction mechanisms for the fluxional rearrangement of Fe3(CO)12 and Ru3(CO)12. Fluxional mechanisms have structurally identical reactants and products; the atoms swap positions with other atoms of the same element. The concerted bridge-opening, bridge-closing mechanism for the Fe3(CO)12 was calculated to have the lowest barrier of those tested at 0.777 kcal/mol; in this mechanism, all twelve carbonyl change position and the final structure is equivalent to the initial structure. At 4.285 kcal/mol, the next lowest energy barrier was calculated for the Cotton's Merry-Go-Round mechanism.
Investigation Into Utrafast Dynamics of Organometallic Compounds with Transient Resonance Infrared Spectroscopy and Growing String
Author: Jacob Peter Schlegel
Publisher:
ISBN:
Category :
Languages : en
Pages : 130
Book Description
Two systems were studied using either a pump-probe spectroscopic technique or a density functional theory computational method. Ultrafast time-resolved infrared spectroscopy has been used to investigate the reactivity of V(CO)5, a doublet species, with silicon-hydrogen and carbon-hydrogen bonds. Using a ultraviolet pump pulse, a carbonyl was dissociated from V(CO)6 while dissolved in triethylsilane; subsequently, a broad bandwidth infrared pulse interrogated the system. On timescales less than 1 ns, vanadium pentacarbonyl does not appear to react. The second study used the Growing String Method incorporating density functional theory to examine the possible reaction mechanisms for the fluxional rearrangement of Fe3(CO)12 and Ru3(CO)12. Fluxional mechanisms have structurally identical reactants and products; the atoms swap positions with other atoms of the same element. The concerted bridge-opening, bridge-closing mechanism for the Fe3(CO)12 was calculated to have the lowest barrier of those tested at 0.777 kcal/mol; in this mechanism, all twelve carbonyl change position and the final structure is equivalent to the initial structure. At 4.285 kcal/mol, the next lowest energy barrier was calculated for the Cotton's Merry-Go-Round mechanism.
Publisher:
ISBN:
Category :
Languages : en
Pages : 130
Book Description
Two systems were studied using either a pump-probe spectroscopic technique or a density functional theory computational method. Ultrafast time-resolved infrared spectroscopy has been used to investigate the reactivity of V(CO)5, a doublet species, with silicon-hydrogen and carbon-hydrogen bonds. Using a ultraviolet pump pulse, a carbonyl was dissociated from V(CO)6 while dissolved in triethylsilane; subsequently, a broad bandwidth infrared pulse interrogated the system. On timescales less than 1 ns, vanadium pentacarbonyl does not appear to react. The second study used the Growing String Method incorporating density functional theory to examine the possible reaction mechanisms for the fluxional rearrangement of Fe3(CO)12 and Ru3(CO)12. Fluxional mechanisms have structurally identical reactants and products; the atoms swap positions with other atoms of the same element. The concerted bridge-opening, bridge-closing mechanism for the Fe3(CO)12 was calculated to have the lowest barrier of those tested at 0.777 kcal/mol; in this mechanism, all twelve carbonyl change position and the final structure is equivalent to the initial structure. At 4.285 kcal/mol, the next lowest energy barrier was calculated for the Cotton's Merry-Go-Round mechanism.
The Internal Rearrangement Dynamics of Organometallic Complexes Investigated with Ultrafast Infrared Spectroscopy
Author: Elizabeth Anne Glascoe
Publisher:
ISBN:
Category :
Languages : en
Pages : 430
Book Description
Publisher:
ISBN:
Category :
Languages : en
Pages : 430
Book Description
Dynamics of Molecules and Chemical Reactions
Author: Robert Wyatt
Publisher: CRC Press
ISBN: 9780824795382
Category : Science
Languages : en
Pages : 692
Book Description
Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.
Publisher: CRC Press
ISBN: 9780824795382
Category : Science
Languages : en
Pages : 692
Book Description
Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.
Physics Briefs
Research Advances in Quantum Dynamics
Author: Paul Bracken
Publisher: BoD – Books on Demand
ISBN: 9535124854
Category : Science
Languages : en
Pages : 276
Book Description
There continue at present many developments in the area of quantum mechanics and quantum dynamics in particular, of a very fundamental nature, all the way from implications for the foundations of physics to the influence of quantum mechanics on emerging technologies, such as the areas of quantum semiconductors and quantum computing, both of which are very important examples. It is hoped that the papers in this volume will be able to provide a much needed resource for researchers with regard to current fields of research in this dynamic area.
Publisher: BoD – Books on Demand
ISBN: 9535124854
Category : Science
Languages : en
Pages : 276
Book Description
There continue at present many developments in the area of quantum mechanics and quantum dynamics in particular, of a very fundamental nature, all the way from implications for the foundations of physics to the influence of quantum mechanics on emerging technologies, such as the areas of quantum semiconductors and quantum computing, both of which are very important examples. It is hoped that the papers in this volume will be able to provide a much needed resource for researchers with regard to current fields of research in this dynamic area.
Absolutely Small
Author: Michael D. Fayer
Publisher: HarperChristian + ORM
ISBN: 0814414915
Category : Science
Languages : en
Pages : 397
Book Description
Absolutely Small presents (and demystifies) the world of quantum science like no book before. Physics is a complex, daunting topic, but it is also deeply satisfying?even thrilling. When liberated from its mathematical underpinnings, physics suddenly becomes accessible to anyone with the curiosity and imagination to explore its beauty. Science without math? It’s not that unusual. For example, we can understand the concept of gravity without solving a single equation. So for all those who may have pondered what makes blueberries blue and strawberries red; for those who have wondered if sound really travels in waves; and why light behaves so differently from any other phenomenon in the universe, it’s all a matter of quantum physics. This book explores in considerable depth scientific concepts using examples from everyday life, such as: particles of light, probability, states of matter, what makes greenhouse gases bad Challenging without being intimidating, accessible but not condescending, Absolutely Small develops your intuition for the very nature of things at their most basic and intriguing levels.
Publisher: HarperChristian + ORM
ISBN: 0814414915
Category : Science
Languages : en
Pages : 397
Book Description
Absolutely Small presents (and demystifies) the world of quantum science like no book before. Physics is a complex, daunting topic, but it is also deeply satisfying?even thrilling. When liberated from its mathematical underpinnings, physics suddenly becomes accessible to anyone with the curiosity and imagination to explore its beauty. Science without math? It’s not that unusual. For example, we can understand the concept of gravity without solving a single equation. So for all those who may have pondered what makes blueberries blue and strawberries red; for those who have wondered if sound really travels in waves; and why light behaves so differently from any other phenomenon in the universe, it’s all a matter of quantum physics. This book explores in considerable depth scientific concepts using examples from everyday life, such as: particles of light, probability, states of matter, what makes greenhouse gases bad Challenging without being intimidating, accessible but not condescending, Absolutely Small develops your intuition for the very nature of things at their most basic and intriguing levels.
Halide Perovskites
Author: Tze-Chien Sum
Publisher: John Wiley & Sons
ISBN: 3527341110
Category : Technology & Engineering
Languages : en
Pages : 312
Book Description
Real insight from leading experts in the field into the causes of the unique photovoltaic performance of perovskite solar cells, describing the fundamentals of perovskite materials and device architectures. The authors cover materials research and development, device fabrication and engineering methodologies, as well as current knowledge extending beyond perovskite photovoltaics, such as the novel spin physics and multiferroic properties of this family of materials. Aimed at a better and clearer understanding of the latest developments in the hybrid perovskite field, this is a must-have for material scientists, chemists, physicists and engineers entering or already working in this booming field.
Publisher: John Wiley & Sons
ISBN: 3527341110
Category : Technology & Engineering
Languages : en
Pages : 312
Book Description
Real insight from leading experts in the field into the causes of the unique photovoltaic performance of perovskite solar cells, describing the fundamentals of perovskite materials and device architectures. The authors cover materials research and development, device fabrication and engineering methodologies, as well as current knowledge extending beyond perovskite photovoltaics, such as the novel spin physics and multiferroic properties of this family of materials. Aimed at a better and clearer understanding of the latest developments in the hybrid perovskite field, this is a must-have for material scientists, chemists, physicists and engineers entering or already working in this booming field.
Optical Measurements for Scientists and Engineers
Author: Arthur McClelland
Publisher: Cambridge University Press
ISBN: 1107173019
Category : Science
Languages : en
Pages : 321
Book Description
An accessible, introductory text explaining how to select, set up and use optical spectroscopy and optical microscopy techniques.
Publisher: Cambridge University Press
ISBN: 1107173019
Category : Science
Languages : en
Pages : 321
Book Description
An accessible, introductory text explaining how to select, set up and use optical spectroscopy and optical microscopy techniques.
Water in Biological and Chemical Processes
Author: Biman Bagchi
Publisher: Cambridge University Press
ISBN: 1107037298
Category : Medical
Languages : en
Pages : 383
Book Description
A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Publisher: Cambridge University Press
ISBN: 1107037298
Category : Medical
Languages : en
Pages : 383
Book Description
A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Ultrafast Photonics
Author: A. Miller
Publisher: CRC Press
ISBN: 0429524935
Category : Science
Languages : en
Pages : 325
Book Description
Ultrafast photonics has become an interdisciplinary topic of high international research interest because of the spectacular development of compact and efficient lasers producing optical pulses with durations in the femtosecond time domain. Present day long-haul telecommunications systems are almost entirely based on the transmission of short burst
Publisher: CRC Press
ISBN: 0429524935
Category : Science
Languages : en
Pages : 325
Book Description
Ultrafast photonics has become an interdisciplinary topic of high international research interest because of the spectacular development of compact and efficient lasers producing optical pulses with durations in the femtosecond time domain. Present day long-haul telecommunications systems are almost entirely based on the transmission of short burst