Publications

University of Houston

2018

54. Why Do AT and GC Self-Sort? Hückel Aromaticity as a Driving Force for Electronic Complementarity in Base Pairing

Y. Zhang, C. H. Wu, J. I. Wu,* Org. Biomol. Chem. 2018 (accepted).


53. Homoleptic Platinium Azo-iminate Complexes via Hydrogenative Cleavage of Formazans

G. Mu, L. Cong, Z. Wen, J. I. Wu, K. M. Kadish, T. S. Teets,* Inorg. Chem. 2018, 57, 9468-9477.


52. A Mismatch-Free Strategy for the Diastereoselective alpha-Alkylation of Chiral Nonracemic Methyl Ketones

M. N. Uddin, C. H. Wu, J. I. Wu, D. M. Coltart,* Org. Lett. 2018, 20, 3723-3727.


51. Inhibiting Reductive Elimination as an Intramolecular Disulfide Dramatically Enhances
the Thermal Stability of SAMs on Gold Derived Bidentate Adsorbents
S. Rittikulsittichai, C. S. Park, A. C. Jamison, T. Frank, C. H. Wu, J. I. Wu, T. R. Lee,* Langmuir 2018, 34, 6645-6652.

50. Aromaticity Gain Increases the Inherent Association Strengths of Multipoint Hydrogen-Bonded Arrays
C. H. Wu, Y. Zhang, K, van Rickley, J. I. Wu,* Chem. Commun. 2018, 54, 3512-3515.
M. Hashim, H. Le., T. H. Chen, Y. S. Chen, O. Daugulis, C. W. Hsu, A. Jacobsen, W. Kaveevivitchai, X. Liang, T. Makarenko, O. Miljanic,* I. Popovs, H. V. Tran, X. Wang, C. H. Wu, J. I. Wu, J. Am. Chem. Soc. 2018, 140, 6014-6026.


2017

47. Enormous Hydrogen Bond Enhancement Through π-Conjugation Gain: Implications for Enzyme Catalysis
C. H. Wu, K. Ito, A. Buytendyk, K. H. Bowen, J. I. Wu,* Biochemistry, 2017, 56, 4318-4322.

46. 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, 56, 9842-9846.


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.