Table 1 Selected molecular orbital coefficients (>0.1) of LUMO orbital of 1.

From: Real-time monitoring of newly acidified organelles during autophagy enabled by reaction-based BODIPY dyes

Atomsa

Orbital coefficients absolute values

Orbital percentage (%)

Molecular structure

5 C (meso-carbon)

0.30501

0.25463

22.7

7 C

0.15769

0.14575

6.6

9 C

0.19469

0.16153

9.2

10 C

0.10016

0.1033

3.0

11 C

0.16900

0.16262

7.9

26 N

0.15462

0.15009

6.7

  1. aThe atom numbering is consistent with the X-ray numbering
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