Springer Proceedings in Physics 236 Dheeraj Kumar Singh Sourav Das Arnulf Materny Editors Advances in Spectroscopy: Molecules to Materials Proceedings of NCASMM 2018 Springer Proceedings in Physics Volume 236 Indexed by Scopus The series Springer Proceedings in Physics, founded in 1984, is devoted to timely reports of state-of-the-art developments in physics and related sciences. Typically based on material presented at conferences, workshops and similar scientific meetings, volumes published in this series will constitute a comprehensive up-to-date source of reference on a field or subfield of relevance in contemporary physics. 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More information about this series at http://www.springer.com/series/361 Dheeraj Kumar Singh Sourav Das (cid:129) (cid:129) Arnulf Materny Editors Advances in Spectroscopy: Molecules to Materials Proceedings of NCASMM 2018 123 Editors Dheeraj KumarSingh SouravDas Department ofPhysics Department ofChemistry Institute of Infrastructure Technology Institute of Infrastructure Technology Research AndManagement Research AndManagement Ahmedabad, Gujarat, India Ahmedabad, Gujarat, India ArnulfMaterny Department ofPhysics andEarthScience JacobsUniversity Bremen gGmbH Bremen, Germany ISSN 0930-8989 ISSN 1867-4941 (electronic) SpringerProceedings in Physics ISBN978-981-15-0201-9 ISBN978-981-15-0202-6 (eBook) https://doi.org/10.1007/978-981-15-0202-6 ©SpringerNatureSingaporePteLtd.2019 Thisworkissubjecttocopyright.AllrightsarereservedbythePublisher,whetherthewholeorpart of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission orinformationstorageandretrieval,electronicadaptation,computersoftware,orbysimilarordissimilar methodologynowknownorhereafterdeveloped. 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Asthana BHU, Varanasi, India Preface Already for a long time, spectroscopy has been one of the prominent tools in a scientist’sarsenal.Spectroscopyreferstoaplethoraofdifferenttechniquesthatare based on the interaction of molecules or matter with electromagnetic radiation through absorption, emission, or scattering process. Since its inception in the nineteenth century, the technique has been developed tremendously and nowadays includes every region of the accessible electromagnetic spectrum, and is used for practically all atomic or molecular processes. The powerful spectroscopic tech- niques allow us to gain a fundamental understanding of the properties, dynamics, and interactions of the basic building blocks of materials encountered in everyday life. Optical spectroscopy techniques have applications to the greatest extent in all thebranchesofscience(physics,chemistry,astronomy,biology,materialsscience, nanotechnology, etc.), which makes them a truly interdisciplinary research tool, applied in a wide variety of scientific and industrial applications ranging from functional materials to pharmaceutical industry and from terrestrial remote sensing to the study offaraway stars and galaxies. With this motivation, the conference was organized with 125 participants from all over India at IITRAM Ahmedabad during October 4–6, 2018. The academic schedule of the conference consisted of plenary talks, invited talks, and many contributed parallel talks. To encourage and motivate young researchers, a poster sessionwithmorethan45posterswasalsoorganized.Theconferencealsoattracted the participation of industry and engineering institutions. During the conference, results from up-to-date research making use of different types of spectroscopy (UV-visible, Raman spectroscopy, IR spectroscopy, fluorescence spectroscopy, NMR, XPS, and time-resolved spectroscopy) and also covering the fields of laser developmentandtheoreticalstudieswerepresentedindetail.Investigationsintothe fundamental properties of molecules (environmental interests, biomolecules, pharmaceutical drugs, hazardous molecules, etc.) and materials (nanomaterials, nuclearmaterials,biomaterials,etc.)werepresented.Thisbookcontainssummaries of selected papers that were presented during the conference. All the manuscripts havebeenpeer-reviewedbeforeacceptedforthefinalpublication.Thepaperscover a wide variety of results and ideas on spectroscopy and theoretical studies on vii viii Preface moleculesandmaterials.Thisbookwillbeprimarilybeneficialtoresearchersfrom many branches of science as spectroscopy is a widely used research technique. This book presents a collection of selected topics in experiment and theory demonstrating the usability for the characterization of molecules and various exciting materials. The book is divided into four parts: (i) Spectroscopy of Molecules and Materials, (ii) Spectroscopy of Nanomaterials, (iii) Functional and Composite Materials, and (iv) Computational Study of Molecules and Materials. Thechapterscoverpioneeringworks,recentachievements,anddiscussionoffuture advancementsinbasicresearch,technologies,andenergyresearch.Theeditedbook starts with a chapter by Dr. K. C. Jena, IIT Ropar, India, on ATR-FTIR spec- troscopyanditsrelevancetoprobethemolecular-levelinteractionsbetweenamino acids and metal-oxide nanoparticles at the solid/aqueous interface. In the second chapter, the excited-state dynamics of fluorogenic molecules is reported by Prof. AnindyaDatta,IITBombay,India.There,hepresentsanicereviewonthecurrent statusoffluorescencespectroscopyrelevanttofundamentalexcited-statedynamics. In the third chapter, the research group of Dr. Jena, IIT Ropar, presents the inter- estingresultsofworkonsum-frequencygeneration(SFG)vibrationalspectroscopic tool for investigation into polymer interfaces. In the fourth chapter, Prof. Gopal Das, IIT Guwahati, has presented the fluorogenic and chromogenic sensing of heavy metal ions in the aqueous medium. Furthermore, the exciting branches of spectroscopic techniques like LIBS, quantum cascade laser spectroscopy, high-resolution IR, X-ray absorption spectroscopy, NMR, etc. along with compu- tational approach were employed for investigating the various molecules and materials in the entire book. For the editors of this book, it was an immense pleasure and an inspiration to preparethecollectionpresentedinthisbook.Iamgratefultoalltheauthorsfortheir efforts in the production of this informative collection about “Spectroscopy of Molecules and Materials.” Moreover, I thank Aninda Bose who acted as a sup- portive senior project editor (Springer, New Delhi). As an Editor of this volume, I hopethatthiscollectionofqualityarticlesreflectsthecurrentstatusofspectroscopy and also presents an outlook to future developments. Ahmedabad, India Dr. Dheeraj Kumar Singh Acknowledgements Firstofall,IwouldliketoexpressmygratitudetoAlmightyGodBajarangaBalee andMaaSaraswatitogivemestrengthforthesuccessfulorganizationofconference andcollectionsofthequalitymanuscriptintheformofabook.Theconferenceon “Advances in Spectroscopy: Molecules to Materials” had about 125 participants from various reputed institutions across India. During the preparation and organi- zation of the conference, many individuals and organizations provided their full support and help and made the event a grand success. After the success of the conference, the next task was to review almost hundreds of manuscripts submitted forpublicationasproceedinginphysics.Manyreputedscientistsandacademicians have accepted our review invitation and devoted their valuable time for reviewing themanuscripts.Theexpertreviewofthesemanuscriptsgreatlyenrichesthequality and scientific value of the book. Thisconferencewouldnothavebeenpossiblewithoutunendinghelpandsupport by many individuals, scientists, and academicians; therefore, on behalf of the Organizing Committee, I would like to thank everyone who provided their full supportinanywayduringorpost-eventactivities.Atfirst,Iwouldliketoshowmy heartfeltgratitudeandthankstothemembersoftheNationalOrganizingCommittee, especiallyProf.KankanBhattacharyya,IISERBhopal;Prof.O.N.Srivastava,BHU, Varanasi; Prof. V. Chandrashekhar, Director, TIFR Hyderabad; Prof. T. K. Chandrashekhar, Director, NISER, Odisha; Prof. Siva Umapathi, Director, IISER Bhopal;Dr.AmitavaDas,Director,CSIR-CSMCRIBhavnagar;Dr.PankajRawat, SERB-DST, New Delhi; Prof. Ashok Ganguli, Director, INST, Mohali; Prof. VijayamohananK.Pillai,Director,CSIR-CECRI,TamilNadu;Prof.T.Pradeep,IIT Madras; Prof. E. Arunan, IISc Bangalore; Prof. B. N. Jagatap, IIT Bombay; Dr. PankajPoddar,CSIR-NCL,Pune,etc.WeareverygratefultotheLocalOrganizing Committeefortheirunconditionalhelpandsupportthroughouttheevent.Theevent wouldnothavebeenpossiblewithoutthesupportoftheadministrationandstaffof IITRAM Ahmedabad, especially Vijay Parmar, Chetan Joshi, Rohit, Bhavin, and many more. I would like to thank Prof. S. Prasanna, Dean; Dr. N. N. Bhuptani, ix x Acknowledgements Registrar;Prof.A.U.Digraskar,Director;andProf.ShivaPrasad,DirectorGeneral of theIITRAM for theirsupportduring theevent. The conference had a large gathering of participants that require a lot of resources and funding to meet all the expenses. I am extremely thankful to the Science and Engineering Research Board (SERB), DST, Government of India; Department of Atomic Energy—Board of Research in Nuclear Sciences (BRNS), Government of India; Gujarat Council of Science and Technology (GUJCOST), Government of Gujarat; and Gujarat State Biotechnology Mission (GSBTM), Government of Gujarat, for their financial support. The contributions and partici- pation of our sponsors Avirahi City, Dholera, PerkinElmer, Aimil Pvt. Ltd., VVT Lab, and DP Analytics are also gratefully acknowledged. The conference and the reviewprocessofSpringerbookproceedingwouldnothavebeenpossiblewithout the support of my colleagues of IITRAM and other scientists from the reputed institutions.MyheartfeltandspecialthanksgotoDr.BrajeshTiwari,Dr.Mahuya, and our Ph.D. students Deepak, Hardik, Paridhi, Ishwar Bhai, Pooja, Jeel, Divya, andSoumalya.Lastbutnotleast,Iwouldliketothankmyfamily,mywifeShweta Singh and my daughter Drishti Singh, for their valuable support and sacrifices during the event and preparations of book. Ahmedabad, India Dheeraj Kumar Singh