Time-resolved electron diffraction : for chemistry, biology and materials science

312 Pages·2014·27.806 MB·English

by  Anatoli A Ischenko, Sergei A Aseyev

EDITOR-IN-CHIEF
Peter W. Hawkes
CEMES-CNRS
Toulouse, France
VOLUME ONEHUNDREDAND EIGHTY FOUR
A
DVANCES IN
IMAGING AND
ELECTRON PHYSICS
Time-Resolved Electron Diffraction:
for Chemistry, Biology and Materials
Science
ANATOLI A. ISCHENKO
SERGEI A. ASEYEV
AMSTERDAM(cid:129)BOSTON(cid:129)HEIDELBERG(cid:129)LONDON
NEWYORK(cid:129)OXFORD(cid:129)PARIS(cid:129)SANDIEGO
SANFRANCISCO(cid:129)SINGAPORE(cid:129)SYDNEY(cid:129)TOKYO
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AnatoliA.Ischenko
SergeiA.Aseyev
Time-ResolvedElectronDiffraction:forChemistry,BiologyandMaterialsScience
AdvancesinImagingandElectronPhysics(2014)184.
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PREFACE
The five chapters that make up this thematic volume are concerned with
avarietyofaspectsof"fast"electronmicroscopy,withemphasisonelectron
diffraction.Afirstchaptersetsthesceneandexplainsthedifferencesbetween
the interpretation of time-resolved and static signals. The second chapter
explores the intricacies of time-resolved diffraction, the ultimate aim being
the observation of chemical reactions. The authors then turn to ultrafast
crystallography, with which transient states can be recorded. Chapter 4 is
concerned with extremely fine temporal resolution and in a final chapter,
electron microscope work is described. A valuable feature of this volume is
the coverage of work published in Russian journals as well as a good
bibliography of related studies.
Peter Hawkes
j
vii
FOREWORD
In 1927, Clinton Joseph Davisson, Lester Halbert Germer, George Paget
Thomson and Andrew Reid discovered the phenomenon of electron
diffraction in crystals. The first monograph on this subject, entitled “Elec-
tron Diffraction,” was published in the early 1930s (H. Mark & R. Wierl,
Die experimentellen und theoretischen grundlagen der electronenbeugung, Berlin,
Verlag von Gebruder Borntraeger, 19311). Since the first experiments,
performed by Mark and Wierl in 1930, the method of electron diffraction
remainedvirtuallyunchangeduntiltheendofthe1970s.Onlyafteralmost
50 years of development in the field of electron diffraction did it become
possible to introduce the fourth dimensiondtimedthus incorporating the
structural dynamics studies in a 4-D spatiotemporal continuum. This book,
whichconsistsoffivechapters,presentsrecenttheoreticalandexperimental
advances in time-resolved electron diffraction (TRED).
Currently,theconceptofmolecularstructure,whichisdeterminedonthe
basisofthermallyaveragedinternucleardistances,whichhaveplayedarather
significantroleinthedevelopmentofstructuralchemistryduetothevigorous
developmentofdifferentspectroscopicmethods.Inaddition,theadvancesof
quantum-chemicalcalculationswasreplacedbyrepresentationsthatarebased
ontheinsightofthepotentialenergysurface(PES).RememberthatthePES
of molecules is commonly employed within the adiabatic, or Born-Oppen-
heimer approximation, in quantum mechanics and statistical mechanics to
modeldifferentchemicalreactionsandtheirinteractions.Thisnotationcomes
1 In addition to the Mark and Wierl book, a monograph by P.S. Tartakovsky, The
Experimental Basis of the Wave Theory of Matter, Moscow: GTTI, was published in
1932(inRussian).GTTI(soundsinRussian)=StatetechnicalandtheoreticalPublishing.
ItisthenameofthepublusherinMoscowintheperiodbetween1931and1939.Itwas
mainly devoted to the subject of electron diffraction. On the 50th anniversary of the
discoveryofelectrondiffraction,acollectioncalledFiftyYearsofElectronDiffraction(1983,
P.Goodman,Ed.)waspublished,whichoutlinedthemainachievementsofthemethod
for the study of free molecules (namely, gas electrion diffusion/GED), and condensed
matter. An extensive two-volume book, Stereochemical Applications of Gas-Phase Electron
Diffraction (1988;I.HargittaiandM.Hargittai,Eds.,VCHPublishers,Inc.:NewYork),
was devoted tothe use of stereochemical applications of GED. Another source, Electron
DiffractionTechniques(1992;JohnM.Cowley,Ed.;OxfordUniversityPress,NewYork),
mainlyfocusedonelectrondiffractionstudiesofstructureofsubstancesinthecondensed
state.
j
ix
x Foreword
from the fact that the total energy of the molecule can be represented as
a multidimensional surface with the positions of constituting atomic as the
coordinates. Note thatthe understanding ofthestructural parameters for the
conformationally nonrigid molecules, which undergo large amplitude intra-
molecular motions, is of particular importance in terms of PES.
Of course, the most reliable values of the molecular structure can be
obtainedonlyviaexperimentaltechniquesandthecorrespondingquantum-
chemicalcalculations. However,until recently,theexistingmethodsofthe
interpretationofexperimentaldatafocusedontheproperapproachforeach
set of the molecular parameters (defined in various ways and exhibiting
distinctmeaningsduetothedifferencesinthephysicalprinciplesofvarious
techniques).Buttheydonotpermitoneto implementsuch acombination
fully. These factors clearly underline the relevance of the theory relating to
thecombinationofTREDwithvibrationalandmicrowavespectroscopyin
asingleprocedure.Theoreticalactivityinthisareaincludesthedevelopment
ofdatarepresentationsbasedonthemolecularPESsystem,whichallowsthe
determination of the equilibrium structure and parameters of the intra-
moleculardynamicsandthecreationofappropriatesoftware.Theincreased
demandsonthequalityoftheexperimentaldata,includingtherequirements
of the elimination of the systematic errors, invoke the improvement of the
hardware and the improvement of the experimental accuracy (correctness).
TRED, the new method for the structural and dynamic studies of
fundamental properties, differs from the traditional method of electron
diffraction both in the experimental part and in the theoretical approaches,
used in the interpretation of diffraction data. The transition in the pico-
second and femtosecond temporal scale raises a number of important issues
relatedtotheaccuracyofthedynamicparametersofthesystemsstudiedby
analyzing the time-dependent scattering intensity of electrons. There is
a particularly pronounced need of corresponding theoretical basis for the
processing of the electron diffraction data and the results of spectral inves-
tigations of the coherent dynamics of molecules in the field of intense
ultrashort laser radiation. Such unified and integrated approach can be
formulatedusingthePESofthegroundandexcitedstatesofthemolecular
systems under study. To understand the dynamic features of molecular
systemswithacomplexlandscapeofpotentialenergysurfaces,itisnecessary
to research them in the associated 4-D space-time continuum.
The introduction of time in the diffraction methods and the develop-
ment of coherent principles of the research process opened up new
approachesforthestudyofthedynamicsofwavepackets,intermediates,and
Foreword xi
transientstatesofthereactioncenters,short-livedcompoundsinthegaseous
and condensed media.2 The use of picosecond, subpicosecond, and even
femtosecond bunches of the electron probes, synchronized with the pulses
oftheexcitingultrashortlaserradiation,determinedthedevelopmentofan
ultrafast electron crystallography method of X-ray diffraction with high
temporal resolution, of dynamic transmission electron microscopy,3 and of
the molecular quantum state tomography. One of the promising applica-
tions, developed by the electron diffraction methods, is their use for the
characterization and the visualization of the processes, occurring in the
photo-excitation of free molecules and biological objects for the analysis of
different surfaces, thin films, and nanostructures.
The combination of state-of-the-art optical techniques and electron
diffraction methods, using different physical principles but complementing
each other, opens up new possibilities for structural research at
ultrashort time sequences. It provides the required integration of the triad
“StructuredDynamicsdFunction” in chemistry, biology, and materials
science.
The monograph can be recommended for a wide range of readers who
areinterestedinthestudyofmatter,includingtheinvestigationofstructure
and dynamics of nanomaterials, including research workers and students
who specialize in this exciting and rapidly developing field of modern
science.
Acknowledgments: The authors express their sincere appreciation for the
support,valuablediscussions,comments,andeditingofthebooktoProfessor
P. M. Weber,Dr. F. Rudakov (Brown University), and Professor C.-Yu
Ruan (MichiganUniversity). Also, we express our gratitude for the support
andvaluablediscussionsthatwereceivedfromProfessorV.N.Bagratashvili
(Institute on Laser and Information Technologies (in Russian it sounds like
IPLIT), Russian Academy of Sciences (RAS); Professor E. A. Ryabov
(Institute for Spectroscopy, RAS); ProfessorG. V. Fetisov (Department of
Chemistry,MoscowLomonosovStateUniversity);ProfessorG.V.Girichev
(Ivanovo State University forChemistry and Technology); Professor
2 SeethemonographTime-ResolvedDiffraction(1997;J.R.HelliwellandP.M.Rentzepis,
Eds,ClarendonPress.Oxford,U.K.),whichoffersseveralchaptersdevotedtotheTRED
technique.
3 Alsosee4DElectronMicroscopy:ImaginginSpaceandTime(2009;A.H.ZewailandJ.M.
Thomas,ImperialCollegePress,London),abookthatdescribesindetailthemethodof
ultrafast electron microscopy and itsapplications.
xii Foreword
A.K.Frolkova(RectoroftheMoscowLomonosovStateUniversityofFine
Chemical Technologies); and Professor V. R. Flid, Dr. Yu. I. Tarasov,
G.V.Bulkhova,andProfessorL.Schafer(UniversityofArkansas).Wealso
expressoursinceregratitudetoallourcolleagueswhohaveworkedwithus
for years (and hopefully foryears to come) in this exciting area of science.
FUTURE CONTRIBUTIONS
D.Agard, Y. Cheng and R.M.Glaeser (volume 185)
Single-particle cryo-electron microscopy
J. Andersson and J.-O. Stro€mberg
Radontransforms and their weighted variants
S.Ando
Gradient operators and edgeand corner detection
J. Angulo
Mathematical morphology for complex and quaternion-valued images
D.Batchelor
Soft x-raymicroscopy
E.Bayro Corrochano
Quaternion wavelet transforms
P.Berczynski (volume 185)
Complex geometricaloptics
C.Beeli
Structure and microscopy of quasicrystals
M.Berz (Ed.)
Femtosecond electron imaging and spectroscopy
C.Bobisch and R.Mo€ller
Ballistic electron microscopy
F.Bociort
Saddle-point methods in lensdesign
A.Broers
Aretrospective
R.E. Burge
Ascientificautobiography
A.Cornejo Rodriguez and F.Granados Agustin
Ronchigram quantification
N. deJonge and D.Peckys
Scanning transmission electronmicroscopy ofwhole eukaryotic cells inliquidand in-situ
studies of functional materials
J. Elorza
Fuzzy operators
A.R.Faruqi, G. McMullanand R. Henderson
Direct detectors
j
xiii
xiv FutureContributions
M.Ferroni
Transmission microscopy inthe scanning electronmicroscope
R.G.Forbes
Liquid metalion sources
A.Go€lzh€auser
Recent advancesin electronholography with pointsources
J.Grotemeyer and T. Muskat
Time-of-flight massspectrometry
M.Haschke
Micro-XRF excitation inthe scanning electron microscope
M.I.Herrera
The development of electron microscopy inSpain
R.Herring and B. McMorran
Electron vortex beams
M.S.Isaacson
Early STEM development
K.Ishizuka
Contrast transfer and crystal images
T. Kohashi
Spin-polarized scanning electron microscopy
O.L. Krivanek
Aberration-corrected STEM
M.Kroupa
The Timepix detectorand itsapplications
B.Lencov(cid:2)a
Modern developments in electronoptical calculations
H.Lichte
Newdevelopments inelectron holography
M.Matsuya
Calculation of aberration coefficients using Liealgebra
J.A. Monsoriu
Fractal zone plates
L.Muray
Miniature electron optics and applications
M.A.O’Keefe
Electron image simulation
V. Ortalan
Ultrafast electron microscopy