Dr Vennapusa Sivaranjana Reddy
Associate Professor (Chemistry)
  +91 (0)471 - 2778057
                                            Publications from IISERTVM



49. Prathibha Saini, Krishan Kumar, Mukul Sethi, ; Surendra Saini, Probal Nag, Mohan Lal Meena, Kuldeep Rathore S,  Anshu Dandia, Sivaranjana Reddy Vennapusa; Shawn Lin, Wolfgang Weigand, Vijay Parewa*
Photosensitized radical anions driven metal free selective reduction of aldehydes using graphene oxide as an electron relay mediator under visible light
  ACS Appl. Mater. Interfaces, (Accepted) (IF=10.383)

48. Probal Nag,  Anshuman Bera, Neethu Anand, Ravi Kumar Kanaparthi and Sivaranjana Reddy Vennapusa*
Understanding the photodynamics of 3-hydroxypyran-4-one using surface hopping simulations
  J. Photochem. Photobiol. A , 438, 114538(1-7) (IF=5.141)


47. R. M. Ipe, Probal Nag, S. Mori, Anjana Nambiar; Sivaranjana Reddy Vennapusa and Sabapathi Gokulnath*
Synthesis, Structure and Optical Properties of a Bis-Macrocycle Derived from a Highly Emissive 1,3,6,8-tetra(1H-pyrrol-2-yl)pyrene
 J. Org. Chem. 87, 15022-15030 (IF=4.198)

46. Probal Nag and Sivaranjana Reddy Vennapusa*
Variation in nonadiabaticity and dual fluorescence causality by extension with aromatic rings in tropolone
 J. Photochem. Photobiol. A , 435, 114337 (1-9) (IF=5.141)

45. Chithra M J and Sivaranjana Reddy Vennapusa*
Unraveling the T1 formation in mono-arm styrylbenzene heteroanalogues
 J. Photochem. Photobiol. A , 435, 114327(1-6) (IF=5.141)

44. Argha Chakraborty, Sayantan Sarkar, Reena Kyarikwal, Probal Nag, Sivaranjana Reddy, Vennapusa and Suman Mukhopadhyay*
Piperazine-Linked Covalent Triazine Polymer as the Efficient Platform for the Removal of Toxic Mercury (II) Ions from Wastewater
 ACS Appl. Polym. Mater 4, 8118-8126 (IF=4.855)

43. Sai Vamsi Krishna Isukapalli and Sivaranjana Reddy Vennapusa*
Core-twist Reduces the Triplet Formation Efficiency in Brominated Perylene Diimides
 J. Phys. Chem. A, 126 (42), 7606-7612(IF=2.944)

42. Sayantan Sarkar, Argha Chakraborty, Rishi Ranjan, Probal Nag, Sivaranjana Reddy Vennapusa, Suman Mukhopadhyay*
A bifunctional imidazolium functionalized ionic porous organic polymer in water remediation
 Mater. Chem. Front. 6, 3070-3083 (IF=8.683)

41. Probal Nag, Anshuman Bera and Sivaranjana Reddy Vennapusa*
Rapid intersystem crossing induced by ultrafast excited-state intramolecular proton transfer in 3-mercaptopyran-4-one
 J. Phys. Chem A (126 (37) 6407-6415 (IF=2.944)

40. Amritha Rayaroth,  Afna Elikkottil, Chithra M. J., Kalyanakrishnan A. V., Sivaranjana Reddy Vennapusa, and Alagiri Kaliyamoorthy*
Regioselective Allenylation and Propargylation of Various para-Quinone Methides Using Alkynyl Azaarenes as Pronucleophile
 Chem. Comm. 58, 10671-10674(IF=6.065)

39. Diksha Pandey and Sivaranjana Reddy Vennapusa*
ESIPT pathways and optical properties of 7-Hydroxy-1-Indanones
 J. Photochem. Photobiol. A ,432, 114073. (IF=5.141)

38.  Sharath C C, Amal Sebastian, Athira Suresh, Ranjit Singh, Akhil Chakravarthy Kakarlamudi,  Alex Andrews, Sivaranjana Reddy Vennapusa and Deepshikha Jaiswal-Nagar*
One-dimensional magnetism in a facile spin 1/2 Heisenberg antiferromagnet with a low saturation field
  CrystEngComm, 24, 4910-4920. (IF=3.756)

37. Probal Nag, Sai Vamsi Krishna Isukapalli, Akashdeep Nath, and Sivaranjana Reddy Vennapusa*
Revisiting the Dynamics of Triplet Formation in Anthraquinones
 J. Phys. Chem. A 126 (23), 3680-3687. (IF=2.944)

36. Probal Nag and Sivaranjana Reddy Vennapusa*
Substitution-independent proton transfer in hydroxychromones
 J. Photochem. Photobiol. A ,431,114024. (IF=5.141)

35. Anshuman Bera, Probal Nag, Diksha Pandey and Sivaranjana Reddy Vennapusa*
Theoretical approach to modeling the early nonadiabatic events of ESIPT originating from three-state conical intersection in quinophthalone
 Photochem Photobiol Sci. (vol 21, issue 4)(IF=4.328)

34. Sai Vamsi Krishna Isukapalli, Probal Nag and Sivaranjana Reddy Vennapusa*
Optical properties of para-oligophenylenes: a case study of electronic absorption spectrum and relaxation dynamics of terphenyl
 Int. J. Quantum. Chem. e26912. (IF=2.437)

33. Akhil Chakravarthy Kakarlamudi, Sai Vamsi Krishna Isukapalli, Sivaranjana Reddy Vennapusa*
Revealing the vibronic coupling effects in the size-dependent optical properties of cycloparaphenylene 
 Mol. Phys. 120, 9. (IF=1.937)


32. Isukapalli, Sai Vamsi Krishna; Pushparajan, Priyanka; Vennapusa, Sivaranjana Reddy*
Rationalizing the Fluorescence Behavior of Core-substituted Naphthalene Diimides
 J. Phys. Chem. A 126 (7), 1114-1122. (IF=2.944)

31. Chithra Mohan Jayakumari, Probal Nag, Sai Vamsi Krishna Isukapalli and Sivaranjana Reddy Vennapusa*
“Exploring the Excited-State Nonadiabatic Effects in the Semisaturated Planar Tetracoordinated Carbon Molecule C7H4”
 Atoms, 10, 10 (1-11) (Invited article, Special Issue "Planar Tetracoordinate Carbon—Fifty Years and Beyond")

30. Akashdeep Nath, Gegari Thomas, Shivali Hans, Sivaranjana Reddy Vennapusa, Sukhendu Mandal*
Crystal Packing Driven Selective Hg (II) ion Sensing Using Thiazolothiazole-Based Water Stable Zinc Metal-Organic Framework
 Inorg. Chem. 61(4), 2227-2233. (IF=5.436)

29. Probal Nag and Sivaranjana Reddy Vennapusa*
Unravelling the sub-100 fs ESIPT in 5-hydroxychromone using surface hopping simulations
 J. Photochem. Photobiol. A , 427, 113767(1-8) (IF=5.141)



28. Sulfikarali Thondikkal, Behera Govind, Ajay Jayaprakash, Mori Shigeki, Kakarlamudi Akhil Chakravarthy, Vennapusa Sivaranjana Reddy; Gokulnath Sabapathi*
Disruption of Antiaromaticity in Structurally Related Expanded Porphyrin-Like Macrocycles with Benzene Linkers
 Org. Lett., 24, 1, 245-249. (IF=6.072)

27. DParthasarathy Gayathri,  Probal Nag,  Neethu Anand,  Sivaranjana Reddy Vennapusa,  Mehboobali Pannipara, Abdullah G. Al-Sehemi, Dohyun Moon*  Savarimuthu Philip Anthony* 
Molecular Conformational Twist Controlled Wide Fluorescence Tuning and White Light Emission in a Single Fluorophore via Halochromism
 New J Chem. 45, 22450-22460 (IF=3.925)

26. Diksha, Probal Nag, Probal and Sivaranjana Reddy Vennapusa*
Comparative study of the multistate ESIPT in dihydroxyanthraquinones
 J. Photochem. Photobiol. A. 423, 113585(1-10) (IF=5.141)

25. Gayathri, Parthasarathy; Kanagajothi, Karuppaiah ; Nag, Probal; Anand, Neethu ; Sivaranjana Reddy, Vennapusa; Moon, Dohyun; Anthony, Savarimuthu; Madhu, Vedichi*
Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism
 Cryst. Eng. Comm. 23, 6769-6777. (IF=3.756)

24. Chithra M. J., Probal Nag, and Sivaranjana Reddy Vennapusa*
Surface hopping dynamics reveal ultrafast triplet generation promoted by S1-T2-T1 spin-vibronic coupling in 2-mercaptobenzothiazole
Phys. Chem. Chem. Phys 23, 20183-20192(IF=3.945)

23. Probal Nag, Neethu Anand and Sivaranjana Reddy Vennapusa*
Ultrafast nonadiabatic excited-state intramolecular proton transfer in 3-hydroxychromone: A surface hopping approach
J. Chem. Phys 155, 094301(1-8)(IF=4.304)

22. Tamilarasu M., Chinraj. S, Chithra M. J., Rajat Singh, Sivaranjana Reddy Vennapusa, Alagiri Kaliyamoorthy*
Palladium-Catalyzed Direct C2-Biarylation of Indoles
J. Org. Chem, 81 (15) 10838-10851(IF=4.198)

21. Akhil Chakravarthy Kakarlamudi and Sivaranjana Reddy Vennapusa*
Intersystem crossing pathways in [5]-, [7]- and [9]cycloparaphenylenes
J. Chem. Phys. 155, 044301 (1-12) (IF=4.304)

20. Debojyoti Mukherjee, Probal Nag, Albert Shteinman, Sivaranjana Reddy Vennapusa, Ujjwal Mandal and Mitra Mainak*
Catechol oxidation promoted by bridging phenoxo moieties in a bis(µ-phenoxo)bridged dicopper(II) complex
RSC Adv. 11, 22951-22959. (IF=4.036)

19. Aman Rastogi, Probal Nag  and Sivaranjana Reddy Vennapusa*
Tracking the early nonadiabatic events of ESIPT process in 2-acetylindan-1,3-dione by quantum wavepacket dynamics
J. Photochem. Photobiol. A. 418,113415(1-9). (IF=5.141)

18. Lekshmi R. S and Sivaranjana Reddy Vennapusa*
Formation and decay of intersystem crossing receiver triplet state in terthiophene and quaterthiophene
Int. J. Quantum. Chem., 121(15), e26677. (IF=2.437)

17. A. Kalaiselvan, A. Spergen, S. V. K. Isukapalli, V. S. Reddy and S. Gokulnath*
Double Intramolecular Hydrogen Transfer Assisted Dual Emission in Carbazole-embedded Porphyrin-like Macrocycle
Chem. Comm. 57, 4420-4423. (IF=6.065)

16. Anshu Dandia, Pratibha Saini,  M. J. Chithra, Sivaranjana Reddy Vennapusa, Vijay Parewa*,
Catalyst- and acid-free Markovnikov hydration of alkynes in a sustainable H2O/ethyl lactate system"
J. Mol. Liq. 331, 115758(1-8). (IF=6.633)

15. Chithra M. J, Vamsi Krishna Isukapalli, Sivaranjana Reddy Vennapusa*
Spin-vibronic coupling induced intersystem crossing in tetraphenylporphyrin : Relevance in the photosensitization of prolycopene"
J. Photochem. Photobiol. A. 412, 113223 (1-10). (IF=5.141)

14. Ajay. J, Sulfikarali Thondikkal, Akhil Chakravarthy Kakarlamudi, Sivaranjana Reddy Vennapusa and Gokulnath Sabapathi*,
Hexathianonaphyrin( Synthesis, Optical, Redox and Protonation Induced Antiaromaticity"
J.Porphyr. Phthalocyanines, 25, 484-492. (IF=1.914)



13. Probal Nag and Sivaranjana Reddy Vennapusa*,
Role of Skeletal and O-H Vibrational Motions in the Ultrafast Excited-State Relaxation Dynamics of Alizarin"

J. Phys. Chem, A 124, 52, 10989-10996. (IF=2.944)


12. Sai Vamsi Krishna Isukapalli, Lekshmi R S, Pralok Kumar Samanta and Sivaranjana Reddy Vennapusa*,
“Formation of excited triplet states in naphthalene diimide and perylene diimide derivatives: A detailed theoretical study

J. Chem. Phys., 153, 124301(1-13). (IF=4.304)


11. Probal Nag and Sivaranjana Reddy Vennapusa*,
“Multiple ESIPT pathways originating from three-state conical intersections in tropolone”

J. Chem. Phys, 2020, 153, 084306(1-13). (IF=4.304)


10.  Arumugam Kalaiselvan, Isukapalli Sai Vamsi Krishna, Anjana Prasad Nambiar, Aathira Edwin, Vennapusa Sivaranjana Reddy, and Sabapathi Gokulnath*,
Carbazole-Based Porphyrins: Synthesis, Structure-Photophysical Property Correlations and Mercury Ion Sensing
Org. Lett. 2020, 22, (11) 4494-4499. (IF=6.072)


9.  Neethu Anand, Probal Nag, Ravi kumar Kanaparthi* and Sivaranjana Reddy Vennapusa*,
“O-H vibrations promote sub-50 fs nonadibatic dynamics in 3-hydroxypyran-4-one: Interplay between internal conversion and ESIPT”

Phys. Chem. Chem. Phys.2020, 22, 8745-8756. (IF=3.945)


8. Lekshmi  R. S., Gayathri B Kurup and Sivaranjana Reddy Vennapusa*,
Identification of receiver triplet state in the ultrafast intersystem crossing of carbonylpyrenes
Phys. Chem. Chem. Phys, 2020, 22, 6145-6153 (IF=3.945)


7. Neethu Anand, Sai Vamsi Krishna Isukapalli and Sivaranjana Reddy Vennapusa*,
“Excited-state intramolecular proton transfer driven by conical intersection in hydroxychromones”

J. Comput. Chem., 2020, 41(11),1068-1080 (IF=3.672)



6. Neethu Anand, Kai Welke, Stephan Irle, and Sivaranjana Reddy Vennapusa*,
Nonadiabatic Excited-­state intramolecular proton transfer in 3-­hydroxyflavone: S2 State involvement via multi­mode effect
J. Chem. Phys, 2019, 151,214304 (IF=4.304)


5. Sai Vamsi Krishna Isukapalli and Vennapusa Sivaranjana Reddy*,   "Ultrafast intersystem crossing in naphthalene diimides: Involvement of higher triplet states"  J. Indian Chem. Soc. 96, 863-868 (Invited article).(IF=0.243)


4. Vennapusa Sivaranjana Reddy* and Stepahn Irle,
“Indirect intersystem crossing (S1→T3/T2→T1) promoted by the Jahn-Teller effect in cycloparaphenylenes”
J. Chem. Theory Comput., 2017, 13 (10), pp 4944-4949) (IF=6.578)

3. Prabu Mani, Anupam Anand Ojha, Vennapusa Sivaranjana Reddy and Sukhendu Mandal*,
“Turn-on" Fluorescence Sensing and Discriminative Detection of Aliphatic Amines Using a 5-Fold-Interpenenetrated Coordination Polymer", Inorg. Chem. 56, 6772-6775 (2017)(IF=5.436)


2. Shinaj Rajagopal, Vennapusa Sivaranjana Reddy, and Mahesh Hariharan* (2016),
“Crystallization Induced Green-Yellow-Orange Emitters Based on Benzoylpyrenes”
CrystEngComm, 18, 5089-5094 (2016)(IF=3.756)

1. Kalaivanan Nagarajan, Ajith R. Mallia, Vennapusa Sivaranjana Reddy, and Mahesh Hariharan*,
“Access to Triplet Excited State in Core-Twisted Perylenediimide", J. Phys. Chem. C,  120, 8443-8450 (2016). (IF=4.177)

Previous Publications:

13. V. Sivaranjana Reddy, S. Nagaprasad Reddy and S. Mahapatra (2015),
“Ultrafast internal conversion dynamics of electronically excited diborane radical cation”
Theo. Chem. Acc. 134, 39

12. V. Sivaranjana Reddy, C. Camacho, J. Xia, R. Jasti, and S. Irle (2014),
“Quantum dynamics simulations reveal vibronic effects on the optical properties of [n]cycloparaphenylenes” J. Chem. Theory Comput. 10, 4025

11. E. V. Gromov*, V. Sivaranjana Reddy, F. Gatti and H. Koeppel  (2013),
“Reaction surface approach to multimode vibronic coupling problems: General framework and application to furan” J. Chem. Phys. 139, 234306

10. S. Faraji, M. Vazdar, V. Sivaranjana Reddy, M. Eckert Maksic, H. Lischka and H. Koeppel (2011),
“Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole”,
J. Chem. Phys. 135, 154310.

9. S. Ghanta, V. Sivaranjana Reddy and S. Mahapatra (2011),
“Theoretical study of electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. II. Dynamical consequences”
Phys. Chem. Chem. Phys., 13, 14531.

8. S. Ghanta, V. Sivaranjana Reddy and S. Mahapatra (2011),
“Theoretical study of electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. I. Static aspects” Phys. Chem. Chem. Phys., 13, 14523.

7. R. R. Kumar, V. Sivaranjana Reddy and S. Mahapatra (2010),
“(B+Exb)xe Jahn-Teller and pseudo-Jahn-Teller effects in spiropentane radical cation ”
Chem. Phys. 373, 228

6. V. Sivaranjana Reddy, S. Ghanta and S. Mahapatra (2010),
“First principles quantum dynamical investigation provides evidence for the role of polycyclic aromatic hydrocarbon radical cations in interstellar space”, Phys. Rev. Lett. 104, 111102.

5. V. Sivaranjana Reddy and S. Mahapatra (2009),
“Electronic nonadiabatic interactions and ultrafast internal conversion in phenylacetylene radical cation” J. Chem. Phys. 130, 124303.

4. V. Sivaranjana Reddy and S. Mahapatra (2008),
“Photostability of electronically excited polyacenes: a case study of vibronic coupling in the naphthalene radical cation” J. Chem. Phys. 128, 091104.

3. V. Sivaranjana Reddy, T. S. Venkatesan and S. Mahapatra (2007),
“Vibronic interactions in the photodetachment spectroscopy of phenide anion”, J. Chem. Phys. 126, 074306.

Book Chapters
2. T. S. Venkatesan, R. R. Kumar, V. Sivaranjana Reddy and S. Mahapatra, (2010)
“Vibronic dynamics of organic hydrocarbons and radicals in: Atomic structure and collision processes” Eds Man Mohan Narosa publishers, New Delhi, pg 189196.

1. V. Sivaranjana Reddy and S. Mahapatra (2009),
“On the vibronic interactions in radicaland radical cations of aromatic hydrocarbons, in: The Jahn-Teller Effect:Advances and Perspectives ” Eds Koeppel, H., Barentzen, and D. R. Yarkony, Springer Verlag GmBH, Heidelberg, 97, 277309.