Publications

University of Houston 

2017

48. Enormous Hydrogen Bond Strength Enhancement Through π-Conjugation Gain: Implications for Enzyme Catalysis
C. H. Wu, K. Ito, A. Buytendyk, K. H. Bowen, J. I. Wu,*
Biochemistry, 2017 (accepted).

47. 
High-Field NMR Spectroscopy Reveals Aromaticity-Modulated Hydrogen Bonding in Heterocycles
T. Kakeshpour, J. P. Bailey, M. R. Jenner, D. E. Howell, R. J. Staples, D. Holmes, J. I. Wu,* J. E. Jackson,* Angew. Chem. Int. Ed., 2017 (accepted) .

46.
Modern Treatments of Aromaticity
J. I. Wu* in Applied Theoretical Organic Chemistry, World Scientific (Tantillo, D. J., Ed.) 2017 (in press).

2016

45. AMHB: (Anti-)aromaticity-Modulated Hydrogen Bonding
T. Kakeshpour, J. I. Wu,* J. E. Jackson,*
J. Am. Chem. Soc., 2016, 138, 3427-3432.

44. 
Heteroleptic Complexes of Cyclometalated Platinum with Triarylformazanate Ligands
E. Kabir, C. H. Wu, J. I. Wu, T. S. Teets,* Inorg. Chem. 2016, 55, 956-963.

43.
Hydrogen Bond-Aromaticity Cooperativity in Self-Assembling 4-Pyridone Chains
M. Anand, I. Fernandez,* H. F. Schaefer, J. I. Wu,* J. Comput. Chem. (special issue in memory of Paul von Rague Schleyer) 2016, 37, 59-63.

2015

42. The Hydrogen Bond Strength of the Phenol-Phenolate Anionic Complex: A Computational and Photoelectron Spectroscopic Study
A. M. Butendyk, J. D. Graham, K. D. Collins, K. H. Bowen,* C. H. Wu, J. I. Wu Phys. Chem. Chem. Phys. 2015, 17, 25109-25113.

41. 
Bonding, Aromaticity, and Planar Tetracoordinated Carbon in Si2CH2 and Ge2CH2
S. Vogt-Geisse,* J. I. Wu, P. v. R. Schleyer, H. F. Schaefer, J. Mol. Model 2015, 21, 2736-2738.


University of Georgia | Center for Computational Quantum Chemistry

2015

40. The 9-Homocubyl Cation Rearrangement Revisited
S. Jalife, J. I. Wu, G. Martinez-Guajardo, P. v. R. Schleyer,* M. A. Fernandez-Herrera,* G. Merino,* Chem. Commun. 2015, 51, 5391-5393.

2014

39. Aromaticity Evaluations of Planar [6]Radialenes
G. Berionni,* J. I. Wu
,* P. v. R. Schleyer,* Org. Lett. 2014
, 16, 6116-6119.


38. Reciprocal Hydrogen Bonding-Aromaticity Relationships
J. I. Wu,* J. E. Jackson, P. v. R. Schleyer, J. Am. Chem. Soc., 2014, 136, 13526-13529.

37. On the Large Sigma-Hyperconjugation in  Alkanes and Alkenes
J. I. Wu,* C. Wang, W. C. McKee, P. v. R. Schleyer, W. Wei, Y. Mo* J. Molecular Modeling 2014
, 20, 2228.

36. Aromaticity in Transition Structures

P. v. R. Schleyer, J. I. Wu, F. P. Cossio,* I. Fernandez,* Chem. Rev. Soc. 2014
, 43, 4909-4921.

35. Planar Moebius Aromatic Pentalenes Incorporating 16 and 18 Valence Electron Osmiums
C. Zhu, M. Luo, Q. Zhu, P. v. R. Schleyer,
J. I. Wu, X. Lu, H. Xia,* Nature Communications, 2014, 5, 3265.

34. Do Pi Conjugative Effects Facilitate SN2 Reactions?

C. H. Wu, B. Galabov,*
J. I. Wu,* S. Ilieva, P. v. R. Schleyer, W. D. Allen,* J. Am. Chem. Soc. 2014, 136, 3118-3126.

2013

33. Free Cyclooctatetraene Dianion: Planarity, Aromaticity, and Theoretical Challenges
A. Sokolov,* B. D. Magers, J. I. Wu, W. D. Allen,* P. v. R. Schleyer, H. F. Schaefer, III, J. Chem. Theory Comput. 2013, 9, 4436-4443.

32. A Hückel Theory Perspective on Möbius Aromaticity

W. C. McKee,*
J. I. Wu, H. S. Rzepa, P. v. R. Schleyer,* Org. Lett. 2013, 15, 3432-3435.

31. Substituent Effects on Hyperconjugative Aromaticity and Antiaromaticity in Planar Cyclopolyenes
I. Fernandez,* J. I. Wu
,* P. v. R. Schleyer,* Org. Lett. 2013, 15, 2990-2993.

30. Hyperconjugation in Hydrocarbons: Not Just a Mild Sort of Conjugation

J. I. Wu,* P. v. R. Schleyer, Pure Appl. Chem. (Young Chemist Prize Collection) 2013, 85, 921-940.

29. Description of Aromaticity in Porphyrinoids

J. I. Wu,* I. Fernandez, P. v. R. Schleyer,* J. Am. Chem. Soc. 2013, 135, 315-321.

2012

28. Why are SnN4 (n=1-4) Species Missing? Answers in a Broader Theoretical Context of Binary S-N Compounds
G.-H. Zhang, Y.-F. Zhao,* J. I. Wu, P. v. R. Schleyer,* Inorg. Chem. 2012, 51, 13321-13327.

27. Why do Two Pi Electron Four-Membered Hueckel Rings Pucker?

W. C. McKee,
J. I. Wu, M. Hofmann, A. Berndt,* P. v. R. Schleyer,* Org. Lett. 2012, 14, 5712-5715.

26. The 4,5,6-Triphospha[3]radialene Dianion: A Phosphorous Analog of the Deltate Dianion. A NICS(0)pizz Examination of Their Aromaticity
H. Miyakae, T. Sasamori,*
J. I. Wu, P. v. R. Schleyer, N. Tokitoch,* Chem. Comm. 2012, 48, 11440-11442.

25. Is C60 Buckminsterfullerene Aromatic?
Z. F. Chen,*
J. I. Wu, C. Corminboeuf, J. Bohmann, X. Lu, A. Hirsch, P. v. R. Schleyer,* Phys. Chem. Chem. Phys. 2012, 14, 14886-14891.

24. IR Spectroscopy of Alpha- and Beta- Protonated Pyrrole via Argon Complex Photodissociation
J. D. Mosley, A. M. Ricks, P. v. R. Schleyer,
J. I. Wu, M. A. Duncan,* J. Phys. Chem. A 2012, 116, 9689-9695.

23. Verification of Stereospecific Dyotropic Racemisation of Enantiopure d- andl-1,2-Dibromo-1,2-Diphenylethane in Non-polar Media
D. C. Braddock,* D. Roy, D. Lenoir, E. Moore, H. S. Rzepa,
J. I. Wu, P. v. R. Schleyer,* Chem. Comm. 2012, 48, 8943-8945.

22. Is Cyclobutadiene Really Highly Destabilized by Antiaromaticity?

J. I. Wu,* Y. Mo, F. A. Evangelista, P. v. R. Schleyer,* Chem. Comm. 2012, 48, 8437-8439.

21. Aromatic Transition States in Non-Pericyclic Reactions: Anionic 5-Endo Cyclizations as Aborted Sigmatropic Shifts

K. Gilmore, M. Manoharan,
J. I. Wu, P. v. R. Schleyer, I. V. Alabugin,* J. Am. Chem. Soc. 2012, 134, 10584-10594.

20. Why Cyclooctatetraene is Highly Stabilized: The Importance of Two-Way (Double) Hyperconjugation
J. I. Wu, Y. Mo, P. v. R. Schleyer,* I. Fernandez, J. Chem. Theory Comput. 2012, 8, 1280-1287.

2011

19. [n]Imperilene: Stacked [n]Trannulene Separated by Planar Cycloalkane Rings
F. A. Shakib,* M. R. Momeni, J. I. Wu, P. v. R. Schleyer,* Z. Azizi, M. Ghambarian, Org. Lett. 2011, 13, 3600-3603. 

18. Aromaticity in Group-14 Homologues of the Cyclopropenylium Cation
I. Fernandez,* M. Duvall, J. I. Wu, Q.-S. Li, P. v. R. Schleyer,* G. Frenking,* Chem. Eur. J. 2011, 17, 2215-2224.

17. Star-Like Aluminium-Carbon Aromatic Species
Y.-B. Wu, J.-L. Jiang, H.-G. Lu, Z.-X. Wang,* N. Perez-Peralta, R. Islas, M. Contreras, G. Merino,*
J. I. Wu, P. v. R. Schleyer,* Chem. Eur. J. 2011, 17, 714-719.

16. A Study of Aromatic Three Membered Rings
H.-J. Wang, P. v. R. Schleyer,
J. I. Wu, Y. Wang, H. J. Wang,* Int. J. Quant. Chem. 2011, 111, 1031-1038. 

2010

15. Consistent Evaluation of Aromaticity in Methylenecyclopropene Analogs
Y. Wang, I. Fernandez,* M. Duvall, J. I. Wu, Q.-S. Li, P. v. R. Schleyer,* G. Frenking,* J. Org. Chem. 2010, 75, 8252-8257.

14. The Aromaticity and Relative Stabilities of Azines

Y. Wang,
J. I. Wu, Q.-S. Li,* P. v. R. Schleyer,* Org. Lett. 2010,12, 4824-4827.

13. Why are Perfluorocyclobutadiene and Some Other (CF)n Rings Non-Planar?

J. I. Wu, F. A. Evangelista, P. v. R. Schleyer,* Org. Lett. 2010, 12, 768-771.

12. Why are Some (CH)4X6 and (CH2)6X4 Polyheteroadamantanes So Stable?
Y. Wang,
J. I. Wu, Q.-S. Li,* P. v. R. Schleyer,* Org. Lett. 2010, 12, 1320-1323.

2009

11. Direct Assessment of Electron Delocalization Using NMR Chemical Shifts
S. N. Steinmann, D. F. 
Jana, J. I. Wu, P. v. R. Schleyer, Y. Mo, C. Corminboeuf,* Angew. Chem. Int. Ed. 2009, 121, 10012-10017.

10. Electrophile Affinity: a Reactivity Measure for Aromatic Substitution

G. Koleva, B. Galabov,* J. I. Wu, H. F. Schaefer III, P. v. R. Schleyer, J. Am. Chem. Soc. 2009, 131, 14722-14727.


9. Is Cyclopropane Really the Sigma-Aromatic Paradigm?

W. Wu,* B. Ma, J. I. Wu, P. v. R. Schleyer,* Y. Mo,* Chem. Eur. J. 2009, 15, 9730-9736.


8. Ab initio Study of the Geometry, Stability and Aromaticity of Cyclic S2N3(+) Cation Isomers and Their Isoelectronic Analogs
GH Zhang, YF Zhao,* J. I. Wu, P. v. R. Schleyer,* Inorg. Chem. 2009, 48, 6773-6780.


7. 4n
π-
Electrons but Stable: N,N-Dihydrodiazapentacenes
J. I. Wu, C. S. Wannere, Y. Mo, P. v. R. Schleyer,* U. H. F. Bunz,* J. Org. Chem. 2009, 74, 4343-4349.


6. The Effect of Perfluorination on the Aromaticity of Benzene and Heterocyclic Six-Membered Rings
J. I. Wu, F. G. Puhlhofer, P. v. R. Schleyer,* R. Puchta, B. Kiran, M. Mauksch, N. J. R. v. E. Hommes, I. Alkorta,* J.Elguero, J. Phys. Chem. A 2009, 113, 6789-6794.


5. On the Aromatic Stabilization Energy of the 4N
π-Electron Pyrene
J. I. Wu, M. A. Dobrowolski, M. K. Cyranski,* B. L. Merner, G. J. Bodwell, Y. Mo, P. v. R. Schleyer, Mol. Phys. 2009, 107, 1177-1186.


2008

4. Homobenzene: Homoaromaticity and Homoantiaromaticity in Cycloheptatrienes
ZF Chen,* H. Jiao, J. I. Wu, R. Herges, S. B. Zhang, P. v. R. Schleyer,* J. Phys. Chem. A 2008, 112, 10586-10594.

3. Interplay of π-Elecctron Delocalization and Strain in [n](2,7)Pyrenophanes
M. A. Dobrowolski, M. K. Cyranski,* B. L. Merner, G. J. Bodwell, J. I. Wu, P. v. R. Schleyer, J. Org. Chem. 2008, 27, 8001-8009.


2. Are N,N-Dihydrodiazatetracene Derivatives Antiaromatic?

S. Miao, S. M. Brombosz, P. v. R. Schleyer, J. I. Wu, S. Barlow, S. R. Marder, K. I. Hardcastle, U. H. F. Bunz,* J. Am. Chem. Soc. 2008, 130, 7339-7344.


2007

1. A Thiadiazole-Fused N,N-Dihydroquinoxaline: Antiaromatic but Isolable
S. Miao, P. v. R. Schleyer, J. I. Wu, K. I. Hardcastle, U. H. F. Bunz,* Org. Lett. 2007, 9, 1073-7076.